Geometry & MOs

Info

ID:	247356
PubChem CID:	103070423
Reduced:	F3N3C12H22 (1)
Stoich.:	A3B3C12D22 (1)
Weight, g/mol:	279.192232
ΔH_f, kcal/mol:	-155.1
Dipole, Da:	3.07
IP(EA), eV:	-8.8(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CCNCC(=C)CN1CCN(CC1)CC(F)(F)F

DOS

IR

Vibrations