Geometry & MOs

Info

ID:	67149
PubChem CID:	46505958
Reduced:	O3C20H26 (1)
Stoich.:	A3B20C26 (1)
Weight, g/mol:	383.08437
ΔH_f, kcal/mol:	-98.14
Dipole, Da:	2.57
IP(EA), eV:	-8.27(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-2,4-bis[(2-chlorophenyl)methylidene]-8-methyl-8-azabicyclo[3.2.1]octan-3-one

Drug info:

PubChemData

Smile

CC(C)/C=C\1/CC/C(=C\C2=CC(=C(C=C2)OC(C)C)OC)/C1=O

DOS

IR

Vibrations