Geometry & MOs

Info

ID:	259709
PubChem CID:	103172582
Reduced:	ON2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	350.06299
ΔH_f, kcal/mol:	4.76
Dipole, Da:	2.6
IP(EA), eV:	-7.98(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-bromophenyl)-N-[(3,4-dimethoxypyridin-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)NCC2=NC=CC(=C2OC)OC

DOS

IR

Vibrations