Geometry & MOs

Info

ID:

443025

PubChem CID:

135257467

Reduced:

NC15H15 (3)

Stoich.:

AB15C15 (3)

Weight, g/mol:

836.383875

ΔHf, kcal/mol:

144.19

Dipole, Da:

4.43

IP(EA), eV:

 -8.28(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3-carbazol-9-yl-1,2,3,4,4a,9a-hexahydropyrido[2,3-b]indol-9-yl)-[4-(3-carbazol-9-yl-1-ethyl-3,4,4a,9a-tetrahydro-2H-pyrido[2,3-b]indole-9-carbonyl)phenyl]methanone

Drug info:

PubChemData

Smile

C1CCCC(CCC1)C23CC(CCC2N(C4=CC=CC=C34)C5=CC=C(C=C5)C6=CC=C(C=C6)C#N)N(C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations