Geometry & MOs

Info

ID:	230085
PubChem CID:	87570095
Reduced:	BrN2O4H7C12 (1)
Stoich.:	AB2C4D7E12 (1)
Weight, g/mol:	218.115424
ΔH_f, kcal/mol:	51.01
Dipole, Da:	7.3
IP(EA), eV:	-10.18(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dimethylbutan-2-ylperoxy)prop-2-enyl hydrogen carbonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=C(C=C2)Br)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations