Geometry & MOs

Info

ID:

311851

PubChem CID:

126598392

Reduced:

NC28H30 (2)

Stoich.:

AB28C30 (2)

Weight, g/mol:

887.492697

ΔHf, kcal/mol:

63.02

Dipole, Da:

3.5

IP(EA), eV:

 -7.97(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-(1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazol-6-yl)-6-phenyl-1,3,5-triazin-2-yl]-1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2C3=CC=CC=C3C4=CC5=C(C=C42)C(C(C5(C)C)(C)C)(C)C)C6=C(C=C(C=C6)N7C8=CC=CC=C8C9=CC1=C(C=C97)C(C(C1(C)C)(C)C)(C)C)C

DOS

IR

Vibrations