Geometry & MOs

Info

ID:	67065
PubChem CID:	46505799
Reduced:	OC7H8 (3)
Stoich.:	AB7C8 (3)
Weight, g/mol:	362.079908
ΔH_f, kcal/mol:	-56.99
Dipole, Da:	3.22
IP(EA), eV:	-8.98(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-4-phenyl-2,6-bis(thiophen-3-ylmethylidene)cyclohexan-1-one

Drug info:

PubChemData

Smile

CCC(C1C/C(=C\C2=CC=CO2)/C(=O)/C(=C/C3=CC=CO3)/C1)(C)C

DOS

IR

Vibrations