Geometry & MOs

Info

ID:	213650
PubChem CID:	81064489
Reduced:	INO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	173.105193
ΔH_f, kcal/mol:	-107.06
Dipole, Da:	3.8
IP(EA), eV:	-9.67(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(acetamidomethyl)pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=CC(=CC=C1)I

DOS

IR

Vibrations