Geometry & MOs

Info

ID:	21175
PubChem CID:	587458
Reduced:	ClOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	210.081143
ΔH_f, kcal/mol:	-46.91
Dipole, Da:	2.68
IP(EA), eV:	-9.89(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-4-methylpentan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations