Geometry & MOs

Info

ID:	213185
PubChem CID:	81063133
Reduced:	ClNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	215.152144
ΔH_f, kcal/mol:	-139.02
Dipole, Da:	5.67
IP(EA), eV:	-9.79(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(2-methylpentanoylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CC1=CC=CC=C1Cl

DOS

IR

Vibrations