Geometry & MOs

Info

ID:	399069
PubChem CID:	135037483
Reduced:	NSO2C11H17 (1)
Stoich.:	ABC2D11E17 (1)
Weight, g/mol:	187.099714
ΔH_f, kcal/mol:	-105.45
Dipole, Da:	3.78
IP(EA), eV:	-9.34(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R)-8-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-12-one

Drug info:

PubChemData

Smile

C1CCC(CC1)C2C3N(CCS3)C(=O)O2

DOS

IR

Vibrations