Geometry & MOs

Info

ID:

377585

PubChem CID:

134223644

Reduced:

NOH16C28 (2)

Stoich.:

ABC16D28 (2)

Weight, g/mol:

690.267114

ΔHf, kcal/mol:

193.56

Dipole, Da:

2.13

IP(EA), eV:

 -8.04(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(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-5-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)N(C7=C6C=C8C9=CC=CC=C9OC8=C7)C1=CC=CC2=CC=CC=C21)C1=C3C=C2C(=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations