Geometry & MOs

Info

ID:	253018
PubChem CID:	103115489
Reduced:	O3N6C12H14 (1)
Stoich.:	A3B6C12D14 (1)
Weight, g/mol:	290.058595
ΔH_f, kcal/mol:	-13.82
Dipole, Da:	7.75
IP(EA), eV:	-9.55(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=NC=C1C2=C(N=NN2CC(=O)N3CCC3)C(=O)O

DOS

IR

Vibrations