Geometry & MOs

Info

ID:	146951
PubChem CID:	53776770
Reduced:	NOC4H4 (2)
Stoich.:	ABC4D4 (2)
Weight, g/mol:	143.051718
ΔH_f, kcal/mol:	54.38
Dipole, Da:	2.82
IP(EA), eV:	-9.73(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6,7,8a-tetrahydro-1H-[1,2,4]triazolo[3,4-b][1,3]thiazine

Drug info:

PubChemData

Smile

C1C(N1C2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations