Geometry & MOs

Info

ID:

441971

PubChem CID:

135247241

Reduced:

N3H37C51 (1)

Stoich.:

A3B37C51 (1)

Weight, g/mol:

457.18305

ΔHf, kcal/mol:

243.21

Dipole, Da:

0.33

IP(EA), eV:

 -8.66(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-(2-methylnaphthalen-1-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

Drug info:

PubChemData

Smile

CC1CC(=CC=C1)C2=NC(=NC(=N2)C3=C(C4=CC=CC=C4C=C3)C5=CC6=C(C=C5)C7=CC=CC=C7C6(C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations