Geometry & MOs

Info

ID:

431577

PubChem CID:

135171665

Reduced:

NOH19C27 (2)

Stoich.:

ABC19D27 (2)

Weight, g/mol:

692.246378

ΔHf, kcal/mol:

138.2

Dipole, Da:

0.8

IP(EA), eV:

 -8.03(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-6-methylcarbazol-3-yl]-6-methyl-9-phenylcarbazole

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=CC3=C2OC4=C3C5=C(C=C4)C6=C(O5)C=CC(=C6)N7C8=C(C=C(C=C8)C9=CC1=C(C=C9)N(C2=CC=CC=C21)C1=CC=CC=C1)C1=CC=CC=C17

DOS

IR

Vibrations