Geometry & MOs

Info

ID:	259689
PubChem CID:	103171935
Reduced:	O2N3C16H27 (1)
Stoich.:	A2B3C16D27 (1)
Weight, g/mol:	308.09277
ΔH_f, kcal/mol:	-57.97
Dipole, Da:	1.94
IP(EA), eV:	-8.82(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CN(CCC1NC)CC2=NC=CC(=C2OC)OC

DOS

IR

Vibrations