Geometry & MOs

Info

ID:

311704

PubChem CID:

126596896

Reduced:

SN2H26C40 (1)

Stoich.:

AB2C26D40 (1)

Weight, g/mol:

526.168128

ΔHf, kcal/mol:

332.93

Dipole, Da:

7.09

IP(EA), eV:

 -8.54(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(6-carbazol-9-ylcyclohexa-1,5-dien-1-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene-5-carbonitrile

Drug info:

PubChemData

Smile

CC1(C2=C(CCC=C2)C3=C1C4=C(C#C3)C5=C(S4)C=CC(=C5)C6=C(C=CC(=C6)C#N)N7C8=CC=CC=C8C9=CC=CC=C97)C

DOS

IR

Vibrations