Geometry & MOs

Info

ID:	206630
PubChem CID:	80275859
Reduced:	ON3C16H27 (1)
Stoich.:	AB3C16D27 (1)
Weight, g/mol:	259.057947
ΔH_f, kcal/mol:	-27.97
Dipole, Da:	2.78
IP(EA), eV:	-9.47(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluoro-4-methylphenyl)-5-thiophen-2-yl-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

CCC1CCC(CC1)(C2=NOC(=N2)C3(CCCC3)C)N

DOS

IR

Vibrations