Geometry & MOs

Info

ID:	207292
PubChem CID:	80373239
Reduced:	ClOSN4H11C12 (1)
Stoich.:	ABCD4E11F12 (1)
Weight, g/mol:	286.06776
ΔH_f, kcal/mol:	21.73
Dipole, Da:	1.61
IP(EA), eV:	-8.77(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2,2,2-trifluoroethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CSC2=C(C1NC(=O)C3=NC=NN3)C=C(C=C2)Cl

DOS

IR

Vibrations