Geometry & MOs

Info

ID:	423945
PubChem CID:	135120826
Reduced:	ON4C20H30 (1)
Stoich.:	AB4C20D30 (1)
Weight, g/mol:	305.126323
ΔH_f, kcal/mol:	-21.6
Dipole, Da:	4.5
IP(EA), eV:	-8.59(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C2=CC=C(C=C2)CC(C)C

DOS

IR

Vibrations