Geometry & MOs

Info

ID:

377421

PubChem CID:

134223473

Reduced:

NOH16C28 (2)

Stoich.:

ABC16D28 (2)

Weight, g/mol:

740.282764

ΔHf, kcal/mol:

189.74

Dipole, Da:

1.36

IP(EA), eV:

 -8.12(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

20-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-16-phenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC7=C(C=C65)C8=CC9=CC=CC=C9C=C8O7)C1=CC=CC=C1)C1=CC3=C(C=C12)OC1=CC2=CC=CC=C2C=C13

DOS

IR

Vibrations