Geometry & MOs

Info

ID:	183156
PubChem CID:	76983849
Reduced:	N3O3H11C13 (1)
Stoich.:	A3B3C11D13 (1)
Weight, g/mol:	219.057866
ΔH_f, kcal/mol:	-43.04
Dipole, Da:	7.22
IP(EA), eV:	-9.49(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=CC=NN2)C=CC(=O)O

DOS

IR

Vibrations