Geometry & MOs

Info

ID:	15169
PubChem CID:	431754
Reduced:	N3F6C22H25 (1)
Stoich.:	A3B6C22D25 (1)
Weight, g/mol:	445.195267
ΔH_f, kcal/mol:	-272.52
Dipole, Da:	8.52
IP(EA), eV:	-8.68(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methylpiperazin-1-yl)propyl]-3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]aniline

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCN(C2=CC=CC(=C2)C(F)(F)F)C3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations