Geometry & MOs

Info

ID:

377707

PubChem CID:

134223771

Reduced:

OSN2H28C48 (1)

Stoich.:

ABC2D28E48 (1)

Weight, g/mol:

664.215078

ΔHf, kcal/mol:

197.15

Dipole, Da:

3.31

IP(EA), eV:

 -7.99(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-phenyl-3-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-[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)SC2=CC=CC=C21

DOS

IR

Vibrations