Geometry & MOs

Info

ID:

299188

PubChem CID:

117676688

Reduced:

ClON2H21C23 (1)

Stoich.:

ABC2D21E23 (1)

Weight, g/mol:

874.43965

ΔHf, kcal/mol:

23.51

Dipole, Da:

5.87

IP(EA), eV:

 -8.69(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-bromo-2,10-bis(3-tert-butylanilino)-3-methyl-14-methylidene-6,13-dioctyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12-trione

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C2=C(N3C=C(C=CC3=N2)C4=CC=CC(=C4)CO)C)Cl

DOS

IR

Vibrations