Geometry & MOs

Info

ID:

431511

PubChem CID:

135171592

Reduced:

N3H55C97 (1)

Stoich.:

A3B55C97 (1)

Weight, g/mol:

312.035335

ΔHf, kcal/mol:

588.98

Dipole, Da:

2.94

IP(EA), eV:

 -8.05(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-chloro-2-(3-fluorodibenzofuran-4-yl)phenol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C5=C3C6=CC=CC=C6N5C7=CC(=CC(=C7)C8=CC=CC9=C8C1=CC=CC2=C1C9=CC=C2)C1=CC=CC(=C1)C1=CC2=C(C=C1)C1=C(C=C2)C2=C(C3=CC=CC=C31)N(C1=CC=CC=C12)C1=CC=CC(=N1)C1=CC=CC2=C1C1=CC=CC3=C1C2=CC=C3

DOS

IR

Vibrations