Geometry & MOs

Info

ID:	67130
PubChem CID:	46505925
Reduced:	NO3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	435.204573
ΔH_f, kcal/mol:	-19.28
Dipole, Da:	3.39
IP(EA), eV:	-8.9(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C\2CCC1/C(=C/C3=CC=CO3)/C(=O)/C2=C/C4=CC=CO4

DOS

IR

Vibrations