Geometry & MOs

Info

ID:	67011
PubChem CID:	46505696
Reduced:	O5C31H40 (1)
Stoich.:	A5B31C40 (1)
Weight, g/mol:	506.303224
ΔH_f, kcal/mol:	-157.12
Dipole, Da:	5.5
IP(EA), eV:	-8.18(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6Z)-2,6-bis[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

CC(CCOC1=C(C=C(C=C1)/C=C/2\C(=O)/C(=C\C3=CC(=C(C=C3)OCCC(C)C)OC)/CC2)OC)C

DOS

IR

Vibrations