Geometry & MOs

Info

ID:	299138
PubChem CID:	117672589
Reduced:	BrO2N3H8C9 (1)
Stoich.:	AB2C3D8E9 (1)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	-45.35
Dipole, Da:	2.39
IP(EA), eV:	-9.52(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,3-dimethylbutyl)oxolane-2,5-dione

Drug info:

PubChemData

Smile

C1CN(C2=C(C1=O)C=C(C=N2)Br)C(=O)N

DOS

IR

Vibrations