Geometry & MOs

Info

ID:	200837
PubChem CID:	79450634
Reduced:	O3C11H24 (1)
Stoich.:	A3B11C24 (1)
Weight, g/mol:	240.183778
ΔH_f, kcal/mol:	-175.59
Dipole, Da:	4.04
IP(EA), eV:	-9.83(2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2-propan-2-ylpropane-1,3-diol

Drug info:

PubChemData

Smile

CCCC(CCCOCC)(CO)CO

DOS

IR

Vibrations