Geometry & MOs

Info

ID:	23977
PubChem CID:	607296
Reduced:	OC20H24 (1)
Stoich.:	AB20C24 (1)
Weight, g/mol:	280.182715
ΔH_f, kcal/mol:	-20.89
Dipole, Da:	3.43
IP(EA), eV:	-9.13(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-phenylphenyl)octan-1-one

Drug info:

PubChemData

Smile

CCCCCCCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2

DOS

IR

Vibrations