Geometry & MOs

Info

ID:

442641

PubChem CID:

135253527

Reduced:

SN3H33C56 (1)

Stoich.:

AB3C33D56 (1)

Weight, g/mol:

560.188863

ΔHf, kcal/mol:

283.21

Dipole, Da:

1.16

IP(EA), eV:

 -8.54(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-2-phenylnaphtho[1,2-e][1,3]benzoxazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC4=C(C=C3)C5=C(C=C4)C=CC6=C5N=C(S6)C7=CC8=C(C=C7)C9=CC=CC=C9C81C2=CC=CC=C2C2=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations