Geometry & MOs

Info

ID:	7827
PubChem CID:	74291
Reduced:	OC14H20 (1)
Stoich.:	AB14C20 (1)
Weight, g/mol:	204.151415
ΔH_f, kcal/mol:	-45.48
Dipole, Da:	3.09
IP(EA), eV:	-9.97(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyloctan-1-one

Drug info:

PubChemData

Smile

CCCCCCCC(=O)C1=CC=CC=C1

DOS

IR

Vibrations