Geometry & MOs

Info

ID:	267769
PubChem CID:	103588797
Reduced:	BrN3O3H12C13 (1)
Stoich.:	AB3C3D12E13 (1)
Weight, g/mol:	337.99022
ΔH_f, kcal/mol:	20.18
Dipole, Da:	6.17
IP(EA), eV:	-9.73(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(3-bromo-5-nitrophenoxy)-5-methylpyridin-3-yl]methanol

Drug info:

PubChemData

Smile

C[C@@H](C1=NC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])Br)N

DOS

IR

Vibrations