Geometry & MOs

Info

ID:

378763

PubChem CID:

134224860

Reduced:

O2N3H15C18 (1)

Stoich.:

A2B3C15D18 (1)

Weight, g/mol:

624.256549

ΔHf, kcal/mol:

76.67

Dipole, Da:

6.72

IP(EA), eV:

 -7.92(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14,14-dimethyl-2-(9-phenylcarbazol-3-yl)-18-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene

Drug info:

PubChemData

Smile

CO/C(=C\C#C)/CC1=NC2=CNC(=CN2C1=O)C3=CC=CC=C3

DOS

IR

Vibrations