Geometry & MOs

Info

ID:	264337
PubChem CID:	103455066
Reduced:	ClOC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	238.168128
ΔH_f, kcal/mol:	-116.11
Dipole, Da:	3.11
IP(EA), eV:	-9.46(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-diethylpyrazol-3-yl)-3-hydroxy-4-methylpentan-2-one

Drug info:

PubChemData

Smile

CCCC(C(CC1=C(C=CC(=C1)Cl)Cl)O)O

DOS

IR

Vibrations