Geometry & MOs

Info

ID:	67049
PubChem CID:	46505763
Reduced:	NO7C28H35 (1)
Stoich.:	AB7C28D35 (1)
Weight, g/mol:	508.251464
ΔH_f, kcal/mol:	-194.39
Dipole, Da:	4.42
IP(EA), eV:	-8.03(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-2,6-bis[(9-ethylcarbazol-3-yl)methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

CC(N1C/C(=C\C2=CC(=C(C=C2OC)OC)OC)/C(=O)/C(=C/C3=CC(=C(C=C3OC)OC)OC)/C1)C

DOS

IR

Vibrations