Geometry & MOs

Info

ID:	47980
PubChem CID:	10536122
Reduced:	O3C11H22 (1)
Stoich.:	A3B11C22 (1)
Weight, g/mol:	202.135765
ΔH_f, kcal/mol:	-182.91
Dipole, Da:	1.7
IP(EA), eV:	-10.27(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyloct-7-en-1-one

Drug info:

PubChemData

Smile

CC[C@H]([C@H](C)[C@@H](CC)OC(=O)CC)O

DOS

IR

Vibrations