Geometry & MOs

Info

ID:	207358
PubChem CID:	80386630
Reduced:	ON6C12H18 (1)
Stoich.:	AB6C12D18 (1)
Weight, g/mol:	284.088495
ΔH_f, kcal/mol:	26.48
Dipole, Da:	4.27
IP(EA), eV:	-8.48(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-propyl-N-(3,4,5-trifluorophenyl)-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NC(=NN1)C(=O)NC2=CN(N=C2)C(C)C

DOS

IR

Vibrations