Geometry & MOs

Info

ID:

377469

PubChem CID:

134223523

Reduced:

OSN2H28C48 (1)

Stoich.:

ABC2D28E48 (1)

Weight, g/mol:

690.267114

ΔHf, kcal/mol:

192.96

Dipole, Da:

2.75

IP(EA), eV:

 -8.06(-0.84)

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-6-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C4=C2C=C(C=C4)C5=CC6=C(C=C5)N(C7=C6C=CC8=C7OC9=CC=CC=C89)C1=CC=CC=C1)C1=C(C=C3)C2=CC=CC=C2S1

DOS

IR

Vibrations