Geometry & MOs

Info

ID:	7056
PubChem CID:	71090
Reduced:	OC10H10 (1)
Stoich.:	AB10C10 (1)
Weight, g/mol:	146.073165
ΔH_f, kcal/mol:	-2.68
Dipole, Da:	3.29
IP(EA), eV:	-9.84(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenylbut-2-en-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations