Geometry & MOs

Info

ID:

324979

PubChem CID:

126679024

Reduced:

ON4H30C50 (1)

Stoich.:

AB4C30D50 (1)

Weight, g/mol:

598.204513

ΔHf, kcal/mol:

231.99

Dipole, Da:

6.12

IP(EA), eV:

 -7.91(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-phenanthren-9-yl-15-phenyl-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)N5C6=CC=CC=C6C7=C5C8=C(C=C7)C9=C(N8C1=CC=CC=C1)C=CC1=C9OC2=CC=CC=C12

DOS

IR

Vibrations