Geometry & MOs

Info

ID:	252992
PubChem CID:	103115346
Reduced:	SO2N5C13H19 (1)
Stoich.:	AB2C5D13E19 (1)
Weight, g/mol:	293.148789
ΔH_f, kcal/mol:	1.38
Dipole, Da:	7.05
IP(EA), eV:	-9.15(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3-hydroxy-2-methylpropyl)-5-(1-methylpyrazol-4-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCCSC)C2=CN(N=C2)C

DOS

IR

Vibrations