Geometry & MOs

Info

ID:	15220
PubChem CID:	433619
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	-125.14
Dipole, Da:	6.56
IP(EA), eV:	-10.12(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzamido-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)NC(=O)C1=CC=CC=C1

DOS

IR

Vibrations