Geometry & MOs

Info

ID:	412352
PubChem CID:	135085242
Reduced:	O2N4F6H34C39 (1)
Stoich.:	A2B4C6D34E39 (1)
Weight, g/mol:	432.171689
ΔH_f, kcal/mol:	-274.24
Dipole, Da:	3.34
IP(EA), eV:	-8.91(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethyl]pyridine-2-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)NC(=O)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)OCC6=CC=CC7=CC=CC=C76

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)NC(=O)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)OCC6=CC=CC7=CC=CC=C76

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):