Geometry & MOs

Info

ID:	196153
PubChem CID:	78790585
Reduced:	ClNO3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	280.054945
ΔH_f, kcal/mol:	-11.17
Dipole, Da:	4.97
IP(EA), eV:	-9.88(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(2-chloroprop-2-enylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]pyridine

Drug info:

PubChemData

Smile

C=C(COC1=CC=CC=C1[N+](=O)[O-])Cl

DOS

IR

Vibrations