Geometry & MOs

Info

ID:	197673
PubChem CID:	78986579
Reduced:	OSN2C9H12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	266.045133
ΔH_f, kcal/mol:	-7.82
Dipole, Da:	3.54
IP(EA), eV:	-9.53(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-fluoro-4-nitrophenyl)-1,2,4-triazole-3-carboxylate

Drug info:

PubChemData

Smile

CC=CC(=O)NCCC1=NC=CS1

DOS

IR

Vibrations