Geometry & MOs

Info

ID:

395091

PubChem CID:

135024634

Reduced:

NOH57C86 (1)

Stoich.:

ABC57D86 (1)

Weight, g/mol:

639.256215

ΔHf, kcal/mol:

353.49

Dipole, Da:

3.04

IP(EA), eV:

 -8.14(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

23-methyl-1,5,12,16-tetraphenyl-23-azahexacyclo[14.6.2.02,15.04,13.06,11.017,22]tetracosa-2,4,6,8,10,12,14,17,19,21-decaen-24-one

Drug info:

PubChemData

Smile

CN1C(=O)C2(C3C=C4C(=CC3C1(C5=C2C=C6C(=C5)C(=C(C(=C6C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C1)C(=C1C2=CC=CC3=C2C2=C(C=CC=C2C1=C4C1=CC=CC=C1)C=C3)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations