Geometry & MOs

Info

ID:	5830
PubChem CID:	13879
Reduced:	OC10H12 (1)
Stoich.:	AB10C12 (1)
Weight, g/mol:	148.088815
ΔH_f, kcal/mol:	-29.82
Dipole, Da:	2.96
IP(EA), eV:	-9.46(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenylbutan-2-one

Drug info:

PubChemData

Smile

CCC(=O)CC1=CC=CC=C1

DOS

IR

Vibrations