Geometry & MOs

Info

ID:	67012
PubChem CID:	46505697
Reduced:	O5C32H42 (1)
Stoich.:	A5B32C42 (1)
Weight, g/mol:	521.314123
ΔH_f, kcal/mol:	-168.93
Dipole, Da:	2.18
IP(EA), eV:	-8.02(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,5E)-3,5-bis[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-1-methylpiperidin-4-one

Drug info:

PubChemData

Smile

CC(C)CCOC1=C(C=C(C=C1)/C=C/2\CCC/C(=C/C3=CC(=C(C=C3)OCCC(C)C)OC)/C2=O)OC

DOS

IR

Vibrations