Geometry & MOs

Info

ID:

316841

PubChem CID:

126631854

Reduced:

NSH21C33 (1)

Stoich.:

ABC21D33 (1)

Weight, g/mol:

473.21435

ΔHf, kcal/mol:

136.07

Dipole, Da:

2.88

IP(EA), eV:

 -8.01(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(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=C5S4)C6=C1C7=CC=CC=C7C8=CC=CC=C86

DOS

IR

Vibrations