Geometry & MOs

Info

ID:	7568
PubChem CID:	73426
Reduced:	NO3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	297.136493
ΔH_f, kcal/mol:	-61.44
Dipole, Da:	8.67
IP(EA), eV:	-8.71(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-11-hydroxy-10-methoxy-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

CN1CCC2=CC(=C(C3=C2[C@@H]1CC34C=CC(=O)C=C4)O)OC

DOS

IR

Vibrations