Geometry & MOs

Info

ID:	410934
PubChem CID:	135083735
Reduced:	ClNOC14H18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	144.11503
ΔH_f, kcal/mol:	-50.34
Dipole, Da:	3.86
IP(EA), eV:	-8.79(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-hydroxyoctan-3-one

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N1CCC2=CC=CC=C21)Cl

DOS

IR

Vibrations