Geometry & MOs

Info

ID:

435521

PubChem CID:

135191712

Reduced:

NO2H39C48 (1)

Stoich.:

AB2C39D48 (1)

Weight, g/mol:

395.111

ΔHf, kcal/mol:

111.82

Dipole, Da:

1.6

IP(EA), eV:

 -7.91(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z,5Z,11aS)-2-iodo-1-(3-methylcyclohexa-2,4-dien-1-yl)-2,7,7a,8,9,10,11,11a-octahydro-1-benzazonine

Drug info:

PubChemData

Smile

C1C2C(C=C3C=CC=CC3=C2C4=C(CN1)C(=CC5=CC=CC=C54)C(C6=CC=CC=C6)(C7=CC=CC=C7)O)C(C8=CC=CC=C8)(C9=CC=CC=C9)O

DOS

IR

Vibrations