Geometry & MOs

Info

ID:	67087
PubChem CID:	46505849
Reduced:	ON2C20H24 (1)
Stoich.:	AB2C20D24 (1)
Weight, g/mol:	482.230453
ΔH_f, kcal/mol:	21.19
Dipole, Da:	0.92
IP(EA), eV:	-8.55(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-4-ethyl-2,6-bis[(2,3,4-trimethoxyphenyl)methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

CCC1C/C(=C\C2=CC=CN2C)/C(=O)/C(=C/C3=CC=CN3C)/C1

DOS

IR

Vibrations