Geometry & MOs

Info

ID:	417863
PubChem CID:	135102934
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	295.061136
ΔH_f, kcal/mol:	-96.49
Dipole, Da:	3.26
IP(EA), eV:	-8.86(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1C[C@H]([C@@H](C1)O)CC2=NC3=CC=CC=C3C=C2)N4CCOCC4

DOS

IR

Vibrations