Geometry & MOs

Info

ID:	259707
PubChem CID:	103172456
Reduced:	N3O3C14H25 (1)
Stoich.:	A3B3C14D25 (1)
Weight, g/mol:	355.99272
ΔH_f, kcal/mol:	-84.12
Dipole, Da:	2.7
IP(EA), eV:	-8.94(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[(3,4-dimethoxypyridin-2-yl)methyl]aniline

Drug info:

PubChemData

Smile

CN(CCNCC1=NC=CC(=C1OC)OC)CCOC

DOS

IR

Vibrations