Geometry & MOs

Info

ID:	1713
PubChem CID:	4922
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	334.189257
ΔH_f, kcal/mol:	-186.01
Dipole, Da:	6.81
IP(EA), eV:	-9.78(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzamido-5-(dipropylamino)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)C1=CC=CC=C1

DOS

IR

Vibrations