Geometry & MOs

Info

ID:

225210

PubChem CID:

85747942

Reduced:

O4H13C19 (1)

Stoich.:

A4B13C19 (1)

Weight, g/mol:

403.005

ΔHf, kcal/mol:

-38.07

Dipole, Da:

2.26

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.257506

Charge, e:

 0

Chem-info

IUPAC name:

1-hydroxy-11-phenylselanyl-1-azoniaspiro[5.5]undec-1-ene;bromide

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C2C=CC=CC2=C3C1=CC=CC=C3)C(=O)[O-]

DOS

IR

Vibrations