Geometry & MOs

Info

ID:	372326
PubChem CID:	131296215
Reduced:	ClN2C10H15 (1)
Stoich.:	AB2C10D15 (1)
Weight, g/mol:	260.037085
ΔH_f, kcal/mol:	-1.65
Dipole, Da:	1.48
IP(EA), eV:	-9.61(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(C1=NC=CC(=C1)Cl)N

DOS

IR

Vibrations