Geometry & MOs

Info

ID:	67013
PubChem CID:	46505698
Reduced:	NO5C32H43 (1)
Stoich.:	AB5C32D43 (1)
Weight, g/mol:	520.318875
ΔH_f, kcal/mol:	-149.23
Dipole, Da:	3.0
IP(EA), eV:	-8.31(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations