Geometry & MOs

Info

ID:	25793
PubChem CID:	630698
Reduced:	FeN4P5C7F10H21 (1)
Stoich.:	AB4C5D7E10F21 (1)
Weight, g/mol:	338.005412
ΔH_f, kcal/mol:	-1011.63
Dipole, Da:	6.9
IP(EA), eV:	-6.61(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2,4,6-trinitroaniline

Drug info:

PubChemData

Smile

CN(C)P(F)F.CN(C)P(F)F.CN(C)P(F)F.CN(P(F)F)P(F)F.[Fe]

DOS

IR

Vibrations