Geometry & MOs

Info

ID:	221974
PubChem CID:	85293093
Reduced:	N2O4C25H34 (1)
Stoich.:	A2B4C25D34 (1)
Weight, g/mol:	427.053946
ΔH_f, kcal/mol:	-136.76
Dipole, Da:	4.61
IP(EA), eV:	-9.41(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9(14),10,12-hexaene-4,5,15,16-tetracarboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC=C)C1CC=CC1CN(CC=C)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations