Geometry & MOs

Info

ID:

298498

PubChem CID:

117650273

Reduced:

NH17C20 (3)

Stoich.:

AB17C20 (3)

Weight, g/mol:

833.376999

ΔHf, kcal/mol:

312.83

Dipole, Da:

17.4

IP(EA), eV:

 -6.26(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,15-bis(2,4-dimethylphenyl)-9,21,23-triphenyl-3,9,15-triazaheptacyclo[18.6.2.12,16.14,8.110,14.017,27.024,28]hentriaconta-1(27),2(29),4,6,8(31),10(30),11,13,16,18,20,22,24(28),25-tetradecaene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C3=CC=CC(=C3)N(C4=CC(=CC=C4)N(C5=C6C=CC7=C8C6=C(C2=C5)C=CC8=CC(=C7)C(C)(C)C)C9=C(C=C(C=C9)C)C)C1=CC=C(C=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations