Geometry & MOs

Info

ID:	12403
PubChem CID:	137065
Reduced:	OC16H16 (1)
Stoich.:	AB16C16 (1)
Weight, g/mol:	224.120115
ΔH_f, kcal/mol:	0.75
Dipole, Da:	3.09
IP(EA), eV:	-9.39(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-diphenylbutan-1-one

Drug info:

PubChemData

Smile

CC(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations