Geometry & MOs

Info

ID:	372415
PubChem CID:	131297314
Reduced:	NBr2O3H5C7 (1)
Stoich.:	AB2C3D5E7 (1)
Weight, g/mol:	188.104859
ΔH_f, kcal/mol:	-22.52
Dipole, Da:	3.23
IP(EA), eV:	-10.3(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-hydroxy-3,3-dimethyloxane-4-carboxylate

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1CO)Br)[N+](=O)[O-])Br

DOS

IR

Vibrations