Geometry & MOs

Info

ID:	67113
PubChem CID:	46505897
Reduced:	N2O3C33H42 (1)
Stoich.:	A2B3C33D42 (1)
Weight, g/mol:	520.272593
ΔH_f, kcal/mol:	-71.13
Dipole, Da:	2.9
IP(EA), eV:	-8.37(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-2,6-bis[(4-morpholin-4-ylphenyl)methylidene]-4-phenylcyclohexan-1-one

Drug info:

PubChemData

Smile

CCC(C1C/C(=C\C2=CC=C(C=C2)N3CCOCC3)/C(=O)/C(=C/C4=CC=C(C=C4)N5CCOCC5)/C1)(C)C

DOS

IR

Vibrations