Geometry & MOs

Info

ID:	342182
PubChem CID:	127264895
Reduced:	ON6C18H20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	339.07501
ΔH_f, kcal/mol:	90.18
Dipole, Da:	3.28
IP(EA), eV:	-9.06(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-[2-chloro-6-(trifluoromethyl)pyridin-3-yl]ethylamino]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=CC=CC=C2)C3=NC(=NO3)C4=CC(=NC=N4)N

DOS

IR

Vibrations