Geometry & MOs

Info

ID:	201404
PubChem CID:	79535042
Reduced:	BrSN2O4C10H11 (1)
Stoich.:	ABC2D4E10F11 (1)
Weight, g/mol:	258.03678
ΔH_f, kcal/mol:	-54.95
Dipole, Da:	4.81
IP(EA), eV:	-9.47(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-pentoxypyridin-3-amine

Drug info:

PubChemData

Smile

CC(CSC1=C(C=C(C=N1)[N+](=O)[O-])Br)C(=O)OC

DOS

IR

Vibrations