Geometry & MOs

Info

ID:

377455

PubChem CID:

134223508

Reduced:

ON2H34C51 (1)

Stoich.:

AB2C34D51 (1)

Weight, g/mol:

664.215078

ΔHf, kcal/mol:

175.14

Dipole, Da:

3.23

IP(EA), eV:

 -8.0(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-phenyl-9-(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-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C4=C(C=C2)N(C5=C4C=C(C=C5)C6=CC7=C(C=C6)C8=C(N7C9=CC=CC=C9)C=C1C(=C8)C2=CC=CC=C2O1)C1=CC=CC=C1)C

DOS

IR

Vibrations