Geometry & MOs

Info

ID:

316615

PubChem CID:

126631321

Reduced:

N2H36C51 (1)

Stoich.:

A2B36C51 (1)

Weight, g/mol:

600.256549

ΔHf, kcal/mol:

211.22

Dipole, Da:

2.09

IP(EA), eV:

 -8.01(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]-N,3-diphenylaniline

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC(=C6)C7=CC=CC=C7)C8=C1C9=CC=CC=C9C1=CC=CC=C18

DOS

IR

Vibrations