Geometry & MOs

Info

ID:	33150
PubChem CID:	7885178
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	260.116092
ΔH_f, kcal/mol:	-152.45
Dipole, Da:	5.96
IP(EA), eV:	-8.74(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-cyanoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)[C@@H](C)OC(=O)CNC(=O)C2=CC(=C(C=C2)C)C

DOS

IR

Vibrations