Geometry & MOs

Info

ID:

173911

PubChem CID:

75696985

Reduced:

ON3C20H24 (1)

Stoich.:

AB3C20D24 (1)

Weight, g/mol:

353.186518

ΔHf, kcal/mol:

40.16

Dipole, Da:

5.12

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.905281

Charge, e:

 1

Chem-info

IUPAC name:

4-(6-hydroxy-5-methyl-7-phenyl-1-aza-3-azoniatricyclo[3.3.1.13,7]decan-2-yl)benzene-1,2-diol

Drug info:

PubChemData

Smile

CC12C[NH+]3CC(C1O)(CN(C2)C3C4=CN=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations