Geometry & MOs

Info

ID:	264267
PubChem CID:	103447829
Reduced:	O2C8H11 (2)
Stoich.:	A2B8C11 (2)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-157.05
Dipole, Da:	2.41
IP(EA), eV:	-8.43(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-hydroxycyclopentyl)ethanone

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)C2(CCCC2)O)OCC

DOS

IR

Vibrations