Geometry & MOs

Info

ID:

314400

PubChem CID:

126621751

Reduced:

NOH14C25 (2)

Stoich.:

ABC14D25 (2)

Weight, g/mol:

507.162314

ΔHf, kcal/mol:

172.36

Dipole, Da:

1.46

IP(EA), eV:

 -7.85(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22-pyren-1-yl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N4C5=CC=CC=C5C6=C4C=C7C(=C6)C=CC8=C7OC9=CC=CC=C89)C1=C2C=C2C(=C1)C=CC1=C2OC2=CC=CC=C12

DOS

IR

Vibrations