Geometry & MOs

Info

ID:

377612

PubChem CID:

134223675

Reduced:

ON3H33C54 (1)

Stoich.:

AB3C33D54 (1)

Weight, g/mol:

690.267114

ΔHf, kcal/mol:

225.32

Dipole, Da:

1.75

IP(EA), eV:

 -7.74(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=CC7=C6OC8=CC=CC=C78)C9=CC=CC=C9)C1=C2C=CC2=C1C1=CC=CC=C1N2C1=CC=CC=C1

DOS

IR

Vibrations