Geometry & MOs

Info

ID:	373109
PubChem CID:	131310106
Reduced:	ON2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	339.9727
ΔH_f, kcal/mol:	-4.72
Dipole, Da:	5.03
IP(EA), eV:	-9.86(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-chloroethyl)-2-ethoxy-5-iodo-4-methoxybenzene

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)C(CN)C#N)O

DOS

IR

Vibrations