Geometry & MOs

Info

ID:	259700
PubChem CID:	103172254
Reduced:	N2O3C14H22 (1)
Stoich.:	A2B3C14D22 (1)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	-99.23
Dipole, Da:	3.7
IP(EA), eV:	-8.6(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3,4-dimethoxypyridin-2-yl)methylamino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C1CCCO1)NCC2=NC=CC(=C2OC)OC

DOS

IR

Vibrations