Geometry & MOs

Info

ID:	46169
PubChem CID:	10522769
Reduced:	N2C16H17 (1)
Stoich.:	A2B16C17 (1)
Weight, g/mol:	364.064647
ΔH_f, kcal/mol:	45.07
Dipole, Da:	3.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.287016
Charge, e:	0

Chem-info

IUPAC name:

N-[1,1,1,3,3,3-hexafluoro-2-(4-nitrophenyl)propan-2-yl]aniline

Drug info:

PubChemData

Smile

C[N+]1=CC=CC2=C1C3=C(C=C2)C4=C(N3)CCCC4

DOS

IR

Vibrations