Geometry & MOs

Info

ID:	423817
PubChem CID:	135120345
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	331.141973
ΔH_f, kcal/mol:	-62.7
Dipole, Da:	4.66
IP(EA), eV:	-8.88(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)CC2CCN(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations