Geometry & MOs

Info

ID:	25672
PubChem CID:	628373
Reduced:	NOH17C22 (1)
Stoich.:	ABC17D22 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	65.86
Dipole, Da:	3.87
IP(EA), eV:	-8.44(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,11-dimethoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one

Drug info:

PubChemData

Smile

COC1=CC=CC2=C(C=CC=C21)C=NC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations