Geometry & MOs

Info

ID:	252961
PubChem CID:	103115172
Reduced:	O2N5C11H15 (1)
Stoich.:	A2B5C11D15 (1)
Weight, g/mol:	289.063346
ΔH_f, kcal/mol:	-3.47
Dipole, Da:	10.26
IP(EA), eV:	-9.65(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations