Geometry & MOs

Info

ID:	48691
PubChem CID:	11110522
Reduced:	CrO4C17H18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	202.135765
ΔH_f, kcal/mol:	43.07
Dipole, Da:	3.04
IP(EA), eV:	-7.51(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyloct-7-en-2-one

Drug info:

PubChemData

Smile

C=CCCCCC(=O)CC1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

DOS

IR

Vibrations