Geometry & MOs

Info

ID:	381166
PubChem CID:	134971817
Reduced:	BrO2N4H7C9 (1)
Stoich.:	AB2C4D7E9 (1)
Weight, g/mol:	288.212071
ΔH_f, kcal/mol:	14.49
Dipole, Da:	6.57
IP(EA), eV:	-9.94(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-5-tert-butyl-6-methyl-6-trimethylsilyloxyhept-3-ene-2,5-diol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations