Geometry & MOs

Info

ID:	147822
PubChem CID:	53787480
Reduced:	O5C20H26 (1)
Stoich.:	A5B20C26 (1)
Weight, g/mol:	224.096793
ΔH_f, kcal/mol:	-185.54
Dipole, Da:	6.93
IP(EA), eV:	-8.8(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)heptan-3-one

Drug info:

PubChemData

Smile

CCC=CCCOC1=C(C(=O)OC2=C1C=CC(=C2)OC(C)(C)C)OC

DOS

IR

Vibrations