Geometry & MOs

Info

ID:	130618
PubChem CID:	51091747
Reduced:	ON8C16H16 (1)
Stoich.:	AB8C16D16 (1)
Weight, g/mol:	331.069237
ΔH_f, kcal/mol:	108.62
Dipole, Da:	3.33
IP(EA), eV:	-9.03(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetamido-2-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CN=C2)C(=O)C3=CC(=NC=C3)N4C=NC=N4

DOS

IR

Vibrations