Geometry & MOs

Info

ID:	132717
PubChem CID:	51406410
Reduced:	NO7C25H31 (1)
Stoich.:	AB7C25D31 (1)
Weight, g/mol:	469.226451
ΔH_f, kcal/mol:	-287.93
Dipole, Da:	5.91
IP(EA), eV:	-8.62(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-cycloheptyl 6-O-methyl (4S,6R,7R)-4-(2-fluorophenyl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate

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]1CC2=C([C@H](C(=C(N2)C)C(=O)OCCOC(C)C)C3=CC=C(C=C3)O)C(=O)[C@@H]1C(=O)OC

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]1CC2=C([C@H](C(=C(N2)C)C(=O)OCCOC(C)C)C3=CC=C(C=C3)O)C(=O)[C@@H]1C(=O)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):