Geometry & MOs

Info

ID:	380907
PubChem CID:	134971506
Reduced:	N2O4C5H5 (1)
Stoich.:	A2B4C5D5 (1)
Weight, g/mol:	520.224093
ΔH_f, kcal/mol:	-76.64
Dipole, Da:	1.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.825044
Charge, e:	0

Chem-info

IUPAC name:

[7-[1-tri(propan-2-yl)silyloxyethenyl]-2-oxabicyclo[4.1.0]heptan-7-yl]methyl 3,5-dinitrobenzoate

Drug info:

PubChemData

Smile

COC(=O)C(=O)/C(=C\[N+]#N)/O

DOS

IR

Vibrations