Geometry & MOs

Info

ID:	327965
PubChem CID:	126691546
Reduced:	O3N4F7H23C27 (1)
Stoich.:	A3B4C7D23E27 (1)
Weight, g/mol:	386.235814
ΔH_f, kcal/mol:	-391.73
Dipole, Da:	6.69
IP(EA), eV:	-9.11(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dimethyl-8-(4-methylcyclopenta-1,3-dien-1-yl)-3-phenyl-N-prop-1-en-2-yl-5,6,7,8-tetrahydroindolizine-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@H]1[C@H](OC(=O)N1CC2=NC(=NC=C2C3=CC=CC=C3OC)N4CC(C4)F)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

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@H]1[C@H](OC(=O)N1CC2=NC(=NC=C2C3=CC=CC=C3OC)N4CC(C4)F)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):