Geometry & MOs

Info

ID:	373507
PubChem CID:	131316257
Reduced:	OCl3H7C8 (1)
Stoich.:	AB3C7D8 (1)
Weight, g/mol:	205.073893
ΔH_f, kcal/mol:	-47.98
Dipole, Da:	1.73
IP(EA), eV:	-9.06(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-4-ethoxy-5-hydroxybenzonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)CCl)Cl)Cl

DOS

IR

Vibrations