Geometry & MOs

Info

ID:	67033
PubChem CID:	46505735
Reduced:	Br2O3H18C21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	330.198365
ΔH_f, kcal/mol:	-37.48
Dipole, Da:	4.41
IP(EA), eV:	-9.02(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,6Z)-2,6-bis[(4-ethylphenyl)methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)OC)Br)/CC2)Br

DOS

IR

Vibrations