Geometry & MOs

Info

ID:	419530
PubChem CID:	135108350
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	330.09642
ΔH_f, kcal/mol:	-110.83
Dipole, Da:	3.95
IP(EA), eV:	-8.5(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-[2-(benzotriazol-2-yl)acetyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)CCC3=CNC4=CC=CC=C43)C(=O)O

DOS

IR

Vibrations