Geometry & MOs

Info

ID:	67137
PubChem CID:	46505935
Reduced:	NOC24H25 (1)
Stoich.:	ABC24D25 (1)
Weight, g/mol:	495.225702
ΔH_f, kcal/mol:	24.09
Dipole, Da:	1.62
IP(EA), eV:	-8.95(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-8-methyl-2,4-bis[(2,4,5-trimethoxyphenyl)methylidene]-8-azabicyclo[3.2.1]octan-3-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C\2/C(=O)/C(=C/C3=CC=CC=C3C)/C4N(C2CC4)C

DOS

IR

Vibrations