Geometry & MOs

Info

ID:	297300
PubChem CID:	117614686
Reduced:	N6H28C47 (1)
Stoich.:	A6B28C47 (1)
Weight, g/mol:	332.125988
ΔH_f, kcal/mol:	310.52
Dipole, Da:	2.45
IP(EA), eV:	-8.52(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(oxiran-2-ylmethyl) tricyclo[5.2.1.02,6]deca-3,8-diene-4,8-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC3=C2N(C4=CC=CC=C34)C5=C(C(=C(C(=C5)C6=CC=CC=C6)C#N)C7=NC(=NC(=N7)C8=CC=CC=C8)C9=CC=CC=C9)C#N

DOS

IR

Vibrations