Geometry & MOs

Info

ID:	313434
PubChem CID:	126614718
Reduced:	NH2C3 (4)
Stoich.:	AB2C3 (4)
Weight, g/mol:	262.120509
ΔH_f, kcal/mol:	150.08
Dipole, Da:	11.14
IP(EA), eV:	-8.77(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-3a,4,4a,6,7,8a,9,9a-octahydrocyclopenta[g]naphthalene-1,3,5,8-tetrone

Drug info:

PubChemData

Smile

CNC(=C1C=CC(=C(C#N)C#N)C=C1)C#N

DOS

IR

Vibrations