Geometry & MOs

Info

ID:	275463
PubChem CID:	103816198
Reduced:	BrClN2O2H10C13 (1)
Stoich.:	ABC2D2E10F13 (1)
Weight, g/mol:	323.01571
ΔH_f, kcal/mol:	-31.99
Dipole, Da:	2.9
IP(EA), eV:	-9.16(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-[(3,4-dimethoxyphenyl)methoxy]pyridine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)COC2=CN=C(C=C2)Br)Cl

DOS

IR

Vibrations