Geometry & MOs

Info

ID:

377648

PubChem CID:

134223712

Reduced:

O2N5H65C105 (1)

Stoich.:

A2B5C65D105 (1)

Weight, g/mol:

1428.517181

ΔHf, kcal/mol:

397.37

Dipole, Da:

6.53

IP(EA), eV:

 -7.93(-0.67)

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-6-yl)-5-phenyl-9-[3-[14-phenyl-17-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C4=C(C=C3)N(C5=C4C=CC(=C5)C6=CC7=C(C=C6)N(C8=C7C9=C(C=C8)C1=C(O9)C=CC(=C1)C1=C2C3=C(C4=C(C=C3)N(C3=C4C=CC(=C3)C3=CC4=C(C=C3)N(C3=C4C4=C(C=C3)C3=CC=CC=C3O4)C3=CC=CC=C3)C3=CC=CC=C3)N(C2=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations