Geometry & MOs

Info

ID:

316839

PubChem CID:

126631852

Reduced:

NH31C46 (1)

Stoich.:

AB31C46 (1)

Weight, g/mol:

473.21435

ΔHf, kcal/mol:

190.35

Dipole, Da:

2.6

IP(EA), eV:

 -7.96(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-(9,9-dimethylfluoren-2-yl)-21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene

Drug info:

PubChemData

Smile

CN1C2=C(C=CC=C2C3=CC4=C(C=C3)C5=CC=CC=C5C4(C6=CC=CC=C6)C7=CC=CC=C7)C8=C1C9=CC=CC=C9C1=CC=CC=C18

DOS

IR

Vibrations