Geometry & MOs

Info

ID:

14883

PubChem CID:

423448

Reduced:

NOH14C15 (1)

Stoich.:

ABC14D15 (1)

Weight, g/mol:

224.107539

ΔHf, kcal/mol:

11.17

Dipole, Da:

2.64

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.966813

Charge, e:

 1

Chem-info

IUPAC name:

2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-16-ol

Drug info:

PubChemData

Smile

C1C(C2C3=CC=CC=C3C1[N+]4=CC=CC=C24)O

DOS

IR

Vibrations