Geometry & MOs

Info

ID:	419017
PubChem CID:	135107341
Reduced:	O2N7C19H25 (1)
Stoich.:	A2B7C19D25 (1)
Weight, g/mol:	373.011993
ΔH_f, kcal/mol:	-1.8
Dipole, Da:	4.05
IP(EA), eV:	-8.65(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-(3,5-dichloro-4-methoxybenzoyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3)C4=NC=CC=N4

DOS

IR

Vibrations