Geometry & MOs

Info

ID:	205409
PubChem CID:	80095781
Reduced:	ON3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	281.152812
ΔH_f, kcal/mol:	42.59
Dipole, Da:	3.74
IP(EA), eV:	-9.3(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[ethyl(pyridin-2-ylmethyl)amino]ethoxy]benzonitrile

Drug info:

PubChemData

Smile

CCN(CCOC1=CC=CC(=C1)C#N)CC2=CC=CC=N2

DOS

IR

Vibrations