Geometry & MOs

Info

ID:	297062
PubChem CID:	117607457
Reduced:	ON4C9H16 (1)
Stoich.:	AB4C9D16 (1)
Weight, g/mol:	375.192232
ΔH_f, kcal/mol:	25.38
Dipole, Da:	2.09
IP(EA), eV:	-9.59(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethenyl]-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine

Drug info:

PubChemData

Smile

CCCCOCN1N=C(N=N1)/C=C\C

DOS

IR

Vibrations