Geometry & MOs

Info

ID:	324088
PubChem CID:	126676904
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	257.077596
ΔH_f, kcal/mol:	-94.07
Dipole, Da:	3.55
IP(EA), eV:	-8.74(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=C)C1=CN(C(=O)C(=C1)C(=O)NC)C(C)C2=CC(=CC=C2)OC

DOS

IR

Vibrations