Geometry & MOs

Info

ID:	387851
PubChem CID:	134987133
Reduced:	O2N3C5H7 (1)
Stoich.:	A2B3C5D7 (1)
Weight, g/mol:	175.04557
ΔH_f, kcal/mol:	31.9
Dipole, Da:	4.93
IP(EA), eV:	-9.17(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-thia-7-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8-tetraene

Drug info:

PubChemData

Smile

CC1=[N+](C=CN(C1=N)O)[O-]

DOS

IR

Vibrations