Geometry & MOs

Info

ID:

145057

PubChem CID:

53453369

Reduced:

N2O6C13H21 (1)

Stoich.:

A2B6C13D21 (1)

Weight, g/mol:

383.199762

ΔHf, kcal/mol:

-138.09

Dipole, Da:

8.02

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754329

Charge, e:

 0

Chem-info

IUPAC name:

1'-methyl-2-naphthalen-2-ylspiro[3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations