Geometry & MOs

Info

ID:

314389

PubChem CID:

126621740

Reduced:

N2O3H30C56 (1)

Stoich.:

A2B3C30D56 (1)

Weight, g/mol:

383.131014

ΔHf, kcal/mol:

169.68

Dipole, Da:

1.03

IP(EA), eV:

 -8.05(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC5=C(C=C4)C6=C(O5)C=C(C=C6)N7C8=CC=CC=C8C9=C7C=C1C(=C9)C=CC2=C1OC1=CC=CC=C21)C=C1C(=C3)C=CC2=C1OC1=CC=CC=C21

DOS

IR

Vibrations