Geometry & MOs

Info

ID:

377587

PubChem CID:

134223646

Reduced:

ON2H34C51 (1)

Stoich.:

AB2C34D51 (1)

Weight, g/mol:

739.262363

ΔHf, kcal/mol:

174.12

Dipole, Da:

1.8

IP(EA), eV:

 -7.91(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(9,14-diphenyl-9,14-diazapentacyclo[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

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=CC=CC=C6)C=CC(=C5)C7=CC8=C(C=C7)N(C9=C8C=C1C(=C9)C2=CC=CC=C2O1)C1=CC=CC=C1)C

DOS

IR

Vibrations