Geometry & MOs

Info

ID:	259703
PubChem CID:	103172319
Reduced:	ClN2O2C16H19 (1)
Stoich.:	AB2C2D16E19 (1)
Weight, g/mol:	280.215078
ΔH_f, kcal/mol:	-30.78
Dipole, Da:	4.0
IP(EA), eV:	-9.05(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethoxypyridin-2-yl)methyl]octan-2-amine

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1)CNCCC2=CC=C(C=C2)Cl)OC

DOS

IR

Vibrations