Geometry & MOs

Info

ID:	269930
PubChem CID:	103619997
Reduced:	ClNO3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	325.02879
ΔH_f, kcal/mol:	-85.53
Dipole, Da:	1.52
IP(EA), eV:	-8.98(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(5-chlorothiophen-2-yl)ethylamino]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)C)OC2=NC=CC(=C2)C(=O)OC

DOS

IR

Vibrations