Geometry & MOs

Info

ID:	213543
PubChem CID:	81064093
Reduced:	Cl2N2O3C11H12 (1)
Stoich.:	A2B2C3D11E12 (1)
Weight, g/mol:	255.085521
ΔH_f, kcal/mol:	-120.29
Dipole, Da:	3.04
IP(EA), eV:	-10.06(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(4-nitro-1H-pyrrole-2-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC(=C(N=C1)Cl)Cl

DOS

IR

Vibrations