Geometry & MOs

Info

ID:	374409
PubChem CID:	131328696
Reduced:	ClON2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	242.070972
ΔH_f, kcal/mol:	-20.57
Dipole, Da:	3.18
IP(EA), eV:	-8.93(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-1-[5-ethoxy-2-(hydroxymethyl)phenyl]propan-2-one

Drug info:

PubChemData

Smile

CC(C1=C(N=CC=C1)Cl)N2CCOCC2

DOS

IR

Vibrations