Geometry & MOs

Info

ID:	283890
PubChem CID:	104017641
Reduced:	O2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	275.024374
ΔH_f, kcal/mol:	-92.97
Dipole, Da:	1.63
IP(EA), eV:	-9.34(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-ethyl-2-methylpyrazol-3-yl)-1H-1,2,4-triazole-5-sulfonyl chloride

Drug info:

PubChemData

Smile

C1CC(C(C1)O)CC2=CC=C(C=C2)CO

DOS

IR

Vibrations