Geometry & MOs

Info

ID:	220610
PubChem CID:	85197978
Reduced:	O3N4C18H18 (1)
Stoich.:	A3B4C18D18 (1)
Weight, g/mol:	338.151809
ΔH_f, kcal/mol:	-43.09
Dipole, Da:	4.01
IP(EA), eV:	-8.55(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl pentacyclo[10.2.2.13,10.02,11.04,9]heptadeca-4,6,8,15-tetraene-13,14-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)C(=CC2=COC3=NC(=NC(=C23)N)N)C

DOS

IR

Vibrations