Geometry & MOs

Info

ID:	361190
PubChem CID:	127302134
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	391.153206
ΔH_f, kcal/mol:	-71.01
Dipole, Da:	6.96
IP(EA), eV:	-8.58(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylcinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(CNC(=O)C1=NN(C2=CC=CC=C2C1=O)C)N3CCOCC3

DOS

IR

Vibrations