Geometry & MOs

Info

ID:	67031
PubChem CID:	46505730
Reduced:	NOF6H21C28 (1)
Stoich.:	ABC6D21E28 (1)
Weight, g/mol:	409.153407
ΔH_f, kcal/mol:	-252.88
Dipole, Da:	1.77
IP(EA), eV:	-9.46(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,5Z)-3,5-bis[(4-methylsulfanylphenyl)methylidene]-1-propan-2-ylpiperidin-4-one

Drug info:

PubChemData

Smile

C\1N(C/C(=C\C2=CC=C(C=C2)C(F)(F)F)/C(=O)/C1=C/C3=CC=C(C=C3)C(F)(F)F)CC4=CC=CC=C4

DOS

IR

Vibrations