Geometry & MOs

Info

ID:	373040
PubChem CID:	131308963
Reduced:	NO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	-38.34
Dipole, Da:	5.4
IP(EA), eV:	-9.88(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyl-4-ethoxy-6-methylbenzonitrile

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1C)C(=O)C)C#N

DOS

IR

Vibrations