Geometry & MOs

Info

ID:	303502
PubChem CID:	124489831
Reduced:	OC17H26 (1)
Stoich.:	AB17C26 (1)
Weight, g/mol:	246.198365
ΔH_f, kcal/mol:	-60.16
Dipole, Da:	3.16
IP(EA), eV:	-9.95(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-phenyl-3-propyloctan-1-one

Drug info:

PubChemData

Smile

CCCCC[C@@H](CCC)CC(=O)C1=CC=CC=C1

DOS

IR

Vibrations