Geometry & MOs

Info

ID:	213765
PubChem CID:	81064916
Reduced:	N2O3C15H18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	294.121572
ΔH_f, kcal/mol:	-108.01
Dipole, Da:	4.48
IP(EA), eV:	-8.92(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=CC2=C(C=C1)NC=C2

DOS

IR

Vibrations