Geometry & MOs

Info

ID:	380025
PubChem CID:	134964499
Reduced:	SO4C15H24 (1)
Stoich.:	AB4C15D24 (1)
Weight, g/mol:	170.167065
ΔH_f, kcal/mol:	-198.26
Dipole, Da:	2.59
IP(EA), eV:	-8.91(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-ethyl-4-methyloctan-2-one

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/[C@@H](CCC(=O)OC)SC1CCCC1

DOS

IR

Vibrations