Geometry & MOs

Info

ID:	259696
PubChem CID:	103172104
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	308.09277
ΔH_f, kcal/mol:	-12.2
Dipole, Da:	5.26
IP(EA), eV:	-8.56(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(3,4-dimethoxypyridin-2-yl)methyl]-4-methoxyaniline

Drug info:

PubChemData

Smile

CN(CC1=NC=CC(=C1OC)OC)C2=CC=CC=C2CN

DOS

IR

Vibrations