Geometry & MOs

Info

ID:

324686

PubChem CID:

126678134

Reduced:

NOH13C21 (2)

Stoich.:

ABC13D21 (2)

Weight, g/mol:

674.235814

ΔHf, kcal/mol:

137.62

Dipole, Da:

1.82

IP(EA), eV:

 -7.99(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

20-phenanthren-9-yl-15,24-diphenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18(23),19,21,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C4=CC=CC=C42)C5=C(C=C3)C6=C7C(=CC(=C6N5C8=CC=CC=C8)OC9=CC=CC=C9)C1=CC=CC=C1O7

DOS

IR

Vibrations