Geometry & MOs

Info

ID:	259738
PubChem CID:	103173337
Reduced:	N2O5C14H14 (1)
Stoich.:	A2B5C14D14 (1)
Weight, g/mol:	337.03136
ΔH_f, kcal/mol:	-150.45
Dipole, Da:	9.87
IP(EA), eV:	-9.62(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(bromomethyl)phenoxy]methyl]-3,4-dimethoxypyridine

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1)CN2C=CC=C(C2=O)C(=O)O)OC

DOS

IR

Vibrations