Geometry & MOs

Info

ID:	252951
PubChem CID:	103115115
Reduced:	O3N7C11H11 (1)
Stoich.:	A3B7C11D11 (1)
Weight, g/mol:	290.058595
ΔH_f, kcal/mol:	24.16
Dipole, Da:	8.01
IP(EA), eV:	-9.77(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-methylpyrazol-4-yl)-1-(1,3-thiazol-4-ylmethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NN=C(O1)CN2C(=C(N=N2)C(=O)O)C3=CN(N=C3)C

DOS

IR

Vibrations