Geometry & MOs

Info

ID:

329511

PubChem CID:

126737720

Reduced:

SN2H24C44 (1)

Stoich.:

AB2C24D44 (1)

Weight, g/mol:

459.1987

ΔHf, kcal/mol:

233.06

Dipole, Da:

1.48

IP(EA), eV:

 -8.15(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19,19-dimethyl-9-phenyl-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C=CC4=C3N(C5=CC=CC=C45)C6=CC7=C(C=C6)N8C9=CC=CC=C9C1=C8C7=CC=C1)C1=C2SC2=CC=CC=C21

DOS

IR

Vibrations