Geometry & MOs

Info

ID:	213898
PubChem CID:	81065529
Reduced:	N3O4C12H19 (1)
Stoich.:	A3B4C12D19 (1)
Weight, g/mol:	361.01749
ΔH_f, kcal/mol:	-141.89
Dipole, Da:	4.28
IP(EA), eV:	-10.15(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-iodobenzoyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CCC1=NC(=NO1)C

DOS

IR

Vibrations