Geometry & MOs

Info

ID:	195074
PubChem CID:	78630337
Reduced:	NSO4C17H18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	293.113982
ΔH_f, kcal/mol:	-71.11
Dipole, Da:	4.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.783274
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-aminophenyl)ethylideneamino]-2-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

CCC(C)C1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)[O-]

DOS

IR

Vibrations