Geometry & MOs

Info

ID:	259776
PubChem CID:	103174127
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	290.108899
ΔH_f, kcal/mol:	-76.9
Dipole, Da:	2.83
IP(EA), eV:	-8.37(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]phenyl]methanamine

Drug info:

PubChemData

Smile

CC(C)N1C=CN(C1=O)CC2=NC=CC(=C2OC)OC

DOS

IR

Vibrations