Geometry & MOs

Info

ID:	213649
PubChem CID:	81064488
Reduced:	NO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	361.01749
ΔH_f, kcal/mol:	-170.55
Dipole, Da:	2.62
IP(EA), eV:	-9.01(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3-iodobenzoyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CC1=CC=CC=C1OC

DOS

IR

Vibrations