Geometry & MOs

Info

ID:

377430

PubChem CID:

134223482

Reduced:

NOH14C24 (2)

Stoich.:

ABC14D24 (2)

Weight, g/mol:

664.215078

ΔHf, kcal/mol:

157.99

Dipole, Da:

0.55

IP(EA), eV:

 -8.22(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-phenyl-2-(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-18-yl)-[1]benzofuro[2,3-a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5=C(C=C42)OC6=C5C=C(C=C6)C7=CC8=C(C=C7)OC9=C8C=C1C2=CC=CC=C2N(C1=C9)C1=CC=CC=C1

DOS

IR

Vibrations