Geometry & MOs

Info

ID:

426230

PubChem CID:

135142817

Reduced:

N2H40C47 (1)

Stoich.:

A2B40C47 (1)

Weight, g/mol:

706.334799

ΔHf, kcal/mol:

315.82

Dipole, Da:

2.38

IP(EA), eV:

 -7.01(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[3-[5-[3-(6,6a-dihydrofluoranthen-3-yl)phenyl]cyclohex-2-en-1-yl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,17,19-octaene

Drug info:

PubChemData

Smile

C1CC=C2C(=C1)C3=C(CCC=C3)C4=C5N2C(NC5=CC=C4)C6=CC(=CC=C6)C7=CC=CC(C7)C8=CC=C9C1C=CC=CC1C1C9C8=CC=C1

DOS

IR

Vibrations