Geometry & MOs

Info

ID:	385419
PubChem CID:	134979025
Reduced:	BOSC11H21 (1)
Stoich.:	ABCD11E21 (1)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-67.65
Dipole, Da:	2.31
IP(EA), eV:	-8.97(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-butyl-2-(hydroxymethyl)cyclopentan-1-one

Drug info:

PubChemData

Smile

B1(CCC(C1)C)/C=C(/OCC)\SCC

DOS

IR

Vibrations