Geometry & MOs

Info

ID:	417063
PubChem CID:	135091241
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	364.118985
ΔH_f, kcal/mol:	-84.32
Dipole, Da:	2.28
IP(EA), eV:	-8.28(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[1-(2-chlorophenyl)piperidin-4-yl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)CCC4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations