Geometry & MOs

Info

ID:	21800
PubChem CID:	590655
Reduced:	NO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	191.094629
ΔH_f, kcal/mol:	-34.55
Dipole, Da:	5.54
IP(EA), eV:	-8.53(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethoxy-4-methoxyphenyl)acetonitrile

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)CC#N)OC

DOS

IR

Vibrations