Geometry & MOs

Info

ID:	67006
PubChem CID:	46505691
Reduced:	O5C29H36 (1)
Stoich.:	A5B29C36 (1)
Weight, g/mol:	407.148121
ΔH_f, kcal/mol:	-159.47
Dipole, Da:	3.35
IP(EA), eV:	-8.2(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=C/2\CC(C/C(=C/C3=CC(=C(C=C3)OCC)OCC)/C2=O)C)OCC

DOS

IR

Vibrations