Geometry & MOs

Info

ID:	67112
PubChem CID:	46505896
Reduced:	O5C34H38 (1)
Stoich.:	A5B34C38 (1)
Weight, g/mol:	514.319543
ΔH_f, kcal/mol:	-125.63
Dipole, Da:	3.48
IP(EA), eV:	-8.26(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(OC1=C(C=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)OC(C)C)OC)/CC(C2)C4=CC=CC=C4)OC)C

DOS

IR

Vibrations