Geometry & MOs

Info

ID:	67086
PubChem CID:	46505846
Reduced:	O5C29H36 (1)
Stoich.:	A5B29C36 (1)
Weight, g/mol:	308.188863
ΔH_f, kcal/mol:	-144.45
Dipole, Da:	5.58
IP(EA), eV:	-8.38(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations