Geometry & MOs

Info

ID:	372327
PubChem CID:	131296231
Reduced:	ClOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	260.037085
ΔH_f, kcal/mol:	-89.79
Dipole, Da:	2.29
IP(EA), eV:	-8.89(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-1-[2-(chloromethyl)-4-ethoxyphenyl]propan-2-one

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)CCl)CC(=O)CCl

DOS

IR

Vibrations