Geometry & MOs

Info

ID:

399906

PubChem CID:

135043719

Reduced:

NH10C11 (1)

Stoich.:

AB10C11 (1)

Weight, g/mol:

191.131014

ΔHf, kcal/mol:

73.18

Dipole, Da:

1.71

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.098932

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4S,8R)-6-oxa-2-azatetracyclo[8.4.0.02,4.04,8]tetradec-9-ene

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[C-]2C=CC=C2)N

DOS

IR

Vibrations