Geometry & MOs

Info

ID:

378764

PubChem CID:

134224861

Reduced:

N2H32C47 (1)

Stoich.:

A2B32C47 (1)

Weight, g/mol:

699.231063

ΔHf, kcal/mol:

186.85

Dipole, Da:

1.35

IP(EA), eV:

 -7.9(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-phenyl-2-spiro[16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene-12,9'-fluorene]-19-yl-[1]benzofuro[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C3C=C2)C4=C(C5=C(C=C41)NC6=C5C=CC7=CC=CC=C76)C8=CC9=C(C=C8)N(C1=CC=CC=C19)C1=CC=CC=C1)C

DOS

IR

Vibrations