Geometry & MOs

Info

ID:

436851

PubChem CID:

135212273

Reduced:

ON4H36C54 (1)

Stoich.:

AB4C36D54 (1)

Weight, g/mol:

382.146999

ΔHf, kcal/mol:

229.41

Dipole, Da:

6.77

IP(EA), eV:

 -8.02(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-phenyl-14,16-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)N5C6=CC=CC=C6C7=C5N8C9=CC=CC=C9C1=CC=CC=C1C8=N7)C1=CC2=C(C=C1)OC1=CC=CC=C12)C

DOS

IR

Vibrations