Geometry & MOs

Info

ID:	251375
PubChem CID:	103103491
Reduced:	N3O4C13H23 (1)
Stoich.:	A3B4C13D23 (1)
Weight, g/mol:	293.137556
ΔH_f, kcal/mol:	-201.34
Dipole, Da:	4.86
IP(EA), eV:	-9.87(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2,3-dimethylbenzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations