Geometry & MOs

Info

ID:	251640
PubChem CID:	103105564
Reduced:	ON2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	301.063346
ΔH_f, kcal/mol:	-2.95
Dipole, Da:	3.58
IP(EA), eV:	-10.35(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-pyridin-4-yl-1-(1,3-thiazol-5-ylmethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)N1C(=C(N=N1)C(=O)OC)C2=CC=NC=C2

DOS

IR

Vibrations