Geometry & MOs

Info

ID:

431576

PubChem CID:

135171664

Reduced:

N2O3H30C54 (1)

Stoich.:

A2B3C30D54 (1)

Weight, g/mol:

746.293328

ΔHf, kcal/mol:

227.67

Dipole, Da:

3.76

IP(EA), eV:

 -8.09(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-(7-cyclohexyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)carbazol-3-yl]-9-phenylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC5=C(C=C4)OC6=CC=CC=C65)C=CC(=C3)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC2=C(C=C1)OC1=C2C=C2C(=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations