Geometry & MOs

Info

ID:	252964
PubChem CID:	103115200
Reduced:	O3N6C10H12 (1)
Stoich.:	A3B6C10D12 (1)
Weight, g/mol:	303.078996
ΔH_f, kcal/mol:	-29.54
Dipole, Da:	8.35
IP(EA), eV:	-9.68(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-methylpyrazol-4-yl)-1-(2-thiophen-3-ylethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CNC(=O)CN1C(=C(N=N1)C(=O)O)C2=CN(N=C2)C

DOS

IR

Vibrations