Geometry & MOs

Info

ID:	375409
PubChem CID:	131523252
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	249.971898
ΔH_f, kcal/mol:	-64.31
Dipole, Da:	1.38
IP(EA), eV:	-8.06(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-[3-chloro-5-(chloromethyl)phenyl]propan-2-one

Drug info:

PubChemData

Smile

C1COC(CN1C2=CC=C(C=C2)O)CCN

DOS

IR

Vibrations