Geometry & MOs

Info

ID:	15099
PubChem CID:	429416
Reduced:	NO3H10C12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	432.132136
ΔH_f, kcal/mol:	-1.85
Dipole, Da:	4.96
IP(EA), eV:	-9.09(-2.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-pentacyclo[6.6.2.13,6.02,7.09,14]heptadeca-4,9,11,13-tetraenyl 2,4-dinitrobenzoate

Drug info:

PubChemData

Smile

C1CC2C3C4C=CC(C3C1C5=CC=CC=C25)C4OC(=O)C6=C(C=C(C=C6)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations