Geometry & MOs

Info

ID:	415304
PubChem CID:	135088298
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	305.126323
ΔH_f, kcal/mol:	-64.39
Dipole, Da:	4.16
IP(EA), eV:	-9.41(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[(4-methoxy-2-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)COCC2=CC=CC=C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations