Geometry & MOs

Info

ID:	30130
PubChem CID:	840207
Reduced:	FNOSCl3H9C10 (1)
Stoich.:	ABCDE3F9G10 (1)
Weight, g/mol:	298.083268
ΔH_f, kcal/mol:	-83.42
Dipole, Da:	0.9
IP(EA), eV:	-9.41(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(4-methylpiperazin-1-yl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S[C@@H](C(Cl)(Cl)Cl)NC(=O)CF

DOS

IR

Vibrations