Geometry & MOs

Info

ID:	436877
PubChem CID:	135212530
Reduced:	ON2H18C26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	483.173548
ΔH_f, kcal/mol:	251.33
Dipole, Da:	3.22
IP(EA), eV:	-8.63(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-phenanthren-3-yl-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3=C(N2C4=C(C=C(C=C4)C#N)C5=CC=CCC5)C#CC=C3

DOS

IR

Vibrations