Geometry & MOs

Info

ID:	147082
PubChem CID:	53786722
Reduced:	N3O4C11H18 (1)
Stoich.:	A3B4C11D18 (1)
Weight, g/mol:	317.126323
ΔH_f, kcal/mol:	-64.49
Dipole, Da:	8.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.971399
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-1,3-dimethyl-1,4,4a,9-tetrahydroindeno[2,1-c]pyridine-4,9a-dicarboxylic acid

Drug info:

PubChemData

Smile

C[N+](CCO)(CCO)C1=C(C=C(C=C1)N)[N+](=O)[O-]

DOS

IR

Vibrations