Geometry & MOs

Info

ID:	213326
PubChem CID:	81063460
Reduced:	N2O3C15H16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	246.100442
ΔH_f, kcal/mol:	-75.18
Dipole, Da:	0.74
IP(EA), eV:	-10.02(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-cyanobenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)/C=C/C1=CC(=CC=C1)C#N

DOS

IR

Vibrations