Geometry & MOs

Info

ID:	340292
PubChem CID:	127262303
Reduced:	NO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	226.07825
ΔH_f, kcal/mol:	-39.74
Dipole, Da:	3.95
IP(EA), eV:	-10.01(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentacyclo[9.7.0.02,10.03,8.013,18]octadeca-1,3,5,7,9,11,13,15,17-nonaene

Drug info:

PubChemData

Smile

C1CC2C3CCC(C3)C2[C@@H]1C(=O)OC(C#N)C4=CC=CC=C4

DOS

IR

Vibrations