Geometry & MOs

Info

ID:	252978
PubChem CID:	103115266
Reduced:	O2N6C11H16 (1)
Stoich.:	A2B6C11D16 (1)
Weight, g/mol:	279.133139
ΔH_f, kcal/mol:	13.94
Dipole, Da:	6.01
IP(EA), eV:	-9.45(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-hydroxy-2-methylpropyl)-5-(1-methylpyrazol-4-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=C(N=NN2CCCN)C(=O)OC

DOS

IR

Vibrations