Geometry & MOs

Info

ID:	252969
PubChem CID:	103115243
Reduced:	O3N5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	304.074245
ΔH_f, kcal/mol:	-38.31
Dipole, Da:	4.68
IP(EA), eV:	-9.48(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCCCN1C(=C(N=N1)C(=O)OC)C2=CN(N=C2)C

DOS

IR

Vibrations