Geometry & MOs

Info

ID:	217909
PubChem CID:	85088568
Reduced:	SiO2C26H38 (1)
Stoich.:	AB2C26D38 (1)
Weight, g/mol:	409.93858
ΔH_f, kcal/mol:	-119.2
Dipole, Da:	2.62
IP(EA), eV:	-8.97(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-(6-nitro-1,3-benzodioxol-5-yl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(CCCO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)C(C(C)C=C)O

DOS

IR

Vibrations