Geometry & MOs

Info

ID:	272009
PubChem CID:	103716525
Reduced:	OSF3N4H11C12 (1)
Stoich.:	ABC3D4E11F12 (1)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	-136.09
Dipole, Da:	3.27
IP(EA), eV:	-10.14(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C1=NC=NN1)NC(=O)C2=CC=C(C=C2)SC(F)(F)F

DOS

IR

Vibrations