Geometry & MOs

Info

ID:	8637
PubChem CID:	79762
Reduced:	OC12H16 (1)
Stoich.:	AB12C16 (1)
Weight, g/mol:	176.120115
ΔH_f, kcal/mol:	-35.4
Dipole, Da:	3.1
IP(EA), eV:	-9.85(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-1-phenylbutan-1-one

Drug info:

PubChemData

Smile

CCC(CC)C(=O)C1=CC=CC=C1

DOS

IR

Vibrations