Geometry & MOs

Info

ID:	251351
PubChem CID:	103103385
Reduced:	N3O4C12H15 (1)
Stoich.:	A3B4C12D15 (1)
Weight, g/mol:	279.121906
ΔH_f, kcal/mol:	-153.61
Dipole, Da:	11.83
IP(EA), eV:	-9.12(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations