Geometry & MOs

Info

ID:	398494
PubChem CID:	135033515
Reduced:	O2H9C10 (2)
Stoich.:	A2B9C10 (2)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	-90.19
Dipole, Da:	3.47
IP(EA), eV:	-9.79(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-7-methyl-8-phenylmethoxyoct-6-en-2-one

Drug info:

PubChemData

Smile

C=C(COC(=O)C1=CC=CC=C1)C=CCOC(=O)C2=CC=CC=C2

DOS

IR

Vibrations