Geometry & MOs

Info

ID:	253647
PubChem CID:	103119730
Reduced:	O2N5C10H13 (1)
Stoich.:	A2B5C10D13 (1)
Weight, g/mol:	231.057866
ΔH_f, kcal/mol:	-6.05
Dipole, Da:	9.1
IP(EA), eV:	-9.61(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2=C(N=NN2C)C(=O)O

DOS

IR

Vibrations