Geometry & MOs

Info

ID:	213900
PubChem CID:	81065531
Reduced:	NO2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-147.0
Dipole, Da:	2.87
IP(EA), eV:	-10.03(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4-ethoxybenzoyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=C(ON=C1C)C

DOS

IR

Vibrations