Geometry & MOs

Info

ID:	414345
PubChem CID:	135087301
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	323.05605
ΔH_f, kcal/mol:	-133.67
Dipole, Da:	3.6
IP(EA), eV:	-8.3(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3(CCN(CC3)C(=O)C4=C(C=CC(=C4)O)N)OCC2

DOS

IR

Vibrations