Geometry & MOs

Info

ID:	263
PubChem CID:	2450
Reduced:	BrNC3O4H6 (1)
Stoich.:	ABC3D4E6 (1)
Weight, g/mol:	198.94802
ΔH_f, kcal/mol:	-109.27
Dipole, Da:	2.43
IP(EA), eV:	-11.19(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-2-nitropropane-1,3-diol

Drug info:

PubChemData

Smile

C(C(CO)([N+](=O)[O-])Br)O

DOS

IR

Vibrations