Geometry & MOs

Info

ID:

426236

PubChem CID:

135142823

Reduced:

N4C47H48 (1)

Stoich.:

A4B47C48 (1)

Weight, g/mol:

549.220498

ΔHf, kcal/mol:

227.34

Dipole, Da:

5.68

IP(EA), eV:

 -7.56(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[4-(6-naphthalen-2-ylpyridin-2-yl)phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,17,19-nonaene

Drug info:

PubChemData

Smile

C1CC2C3=C(C1)C4C=CC=CC4C5=CCCC=C5N3C(N2)C6=CCC(CC6)C7C(=NC8=C(N7)C9CCC=CC9C1=CC=CC=C18)C1=CC=CC=C1

DOS

IR

Vibrations