Geometry & MOs

Info

ID:	418546
PubChem CID:	135105670
Reduced:	NO3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	323.05605
ΔH_f, kcal/mol:	-110.4
Dipole, Da:	2.1
IP(EA), eV:	-8.99(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-(4-chloro-2-methylbenzoyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCC[C@@]4(C3)CCC[C@H]4OC

DOS

IR

Vibrations