Geometry & MOs

Info

ID:	399878
PubChem CID:	135043431
Reduced:	SO2N3C7H13 (1)
Stoich.:	AB2C3D7E13 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	-47.01
Dipole, Da:	1.36
IP(EA), eV:	-10.06(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-azatricyclo[6.3.2.04,13]tridec-6-en-12-one

Drug info:

PubChemData

Smile

CCCCC1=CN(N=N1)S(=O)(=O)C

DOS

IR

Vibrations