Geometry & MOs

Info

ID:	390498
PubChem CID:	134999440
Reduced:	BO2C16H29 (1)
Stoich.:	AB2C16D29 (1)
Weight, g/mol:	238.19328
ΔH_f, kcal/mol:	-182.23
Dipole, Da:	3.1
IP(EA), eV:	-8.93(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-cyclohexyl-3-pentyloxolan-2-one

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C(=CCCCCCC)C=C

DOS

IR

Vibrations