Geometry & MOs

Info

ID:

376266

PubChem CID:

134222276

Reduced:

NH14C23 (2)

Stoich.:

AB14C23 (2)

Weight, g/mol:

691.298748

ΔHf, kcal/mol:

212.94

Dipole, Da:

1.03

IP(EA), eV:

 -8.01(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-[3-[2-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C6C(=C4)C7=CC=CC=C7C8=CC=CC=C8N6C9=C5C1=CC=CC=C1C=C9)C1=CC=CC=C12

DOS

IR

Vibrations