Geometry & MOs

Info

ID:	251370
PubChem CID:	103103470
Reduced:	ClN3O4C12H14 (1)
Stoich.:	AB3C4D12E14 (1)
Weight, g/mol:	279.121906
ΔH_f, kcal/mol:	-166.26
Dipole, Da:	2.83
IP(EA), eV:	-9.37(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-4-methylbenzoic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)NC1=C(C=C(C=C1)Cl)C(=O)O

DOS

IR

Vibrations