Geometry & MOs

Info

ID:	67030
PubChem CID:	46505727
Reduced:	OC8H10 (2)
Stoich.:	AB8C10 (2)
Weight, g/mol:	501.152733
ΔH_f, kcal/mol:	-66.29
Dipole, Da:	2.5
IP(EA), eV:	-8.63(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-1-benzyl-3,5-bis[[4-(trifluoromethyl)phenyl]methylidene]piperidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(O1)/C=C/2\CCC(C2=O)C3CCCC3

DOS

IR

Vibrations