Geometry & MOs

Info

ID:	69332
PubChem CID:	46530723
Reduced:	N2F3O3C18H19 (1)
Stoich.:	A2B3C3D18E19 (1)
Weight, g/mol:	373.150093
ΔH_f, kcal/mol:	-216.72
Dipole, Da:	2.49
IP(EA), eV:	-8.88(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[3-(trifluoromethyl)piperidin-1-yl]-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/C(=O)N2CCCC(C2)C(F)(F)F)OCC#N

DOS

IR

Vibrations