Geometry & MOs

Info

ID:	415263
PubChem CID:	135088255
Reduced:	O2N6C15H22 (1)
Stoich.:	A2B6C15D22 (1)
Weight, g/mol:	317.126323
ΔH_f, kcal/mol:	-15.54
Dipole, Da:	2.83
IP(EA), eV:	-8.78(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[2-(3,4-dimethylphenyl)acetyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)CC(=O)NC3=NN(C=C3)C

DOS

IR

Vibrations