Geometry & MOs

Info

ID:

166821

PubChem CID:

74738018

Reduced:

N3O3C23H30 (1)

Stoich.:

A3B3C23D30 (1)

Weight, g/mol:

460.10359

ΔHf, kcal/mol:

-73.48

Dipole, Da:

2.11

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.959399

Charge, e:

 1

Chem-info

IUPAC name:

9-bromo-2-(4-fluorophenyl)-7-methoxy-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidin-1-ium]

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=[NH+]C=CC(=C3)N4CCOCC4

DOS

IR

Vibrations