Geometry & MOs

Info

ID:	324470
PubChem CID:	126677728
Reduced:	SN4O4C15H18 (1)
Stoich.:	AB4C4D15E18 (1)
Weight, g/mol:	271.093247
ΔH_f, kcal/mol:	-108.6
Dipole, Da:	4.4
IP(EA), eV:	-8.76(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]-1,2,4-triazole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)NO

DOS

IR

Vibrations