Geometry & MOs

Info

ID:	309083
PubChem CID:	126536426
Reduced:	SN2O5C6H8 (1)
Stoich.:	AB2C5D6E8 (1)
Weight, g/mol:	316.166604
ΔH_f, kcal/mol:	-70.04
Dipole, Da:	8.54
IP(EA), eV:	-10.44(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-(3-chloro-4-methyl-2,3-dihydro-1H-1,2,4-triazin-5-yl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NO

DOS

IR

Vibrations