Geometry & MOs

Info

ID:	130789
PubChem CID:	51107831
Reduced:	OSN4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	334.09898
ΔH_f, kcal/mol:	30.94
Dipole, Da:	3.46
IP(EA), eV:	-8.82(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[2-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-3-yl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CSCC(=O)NC(CN1C=NC=N1)C2=CC=CC=C2

DOS

IR

Vibrations