Geometry & MOs

Info

ID:

324991

PubChem CID:

126679096

Reduced:

ON2H22C36 (1)

Stoich.:

AB2C22D36 (1)

Weight, g/mol:

673.215412

ΔHf, kcal/mol:

139.57

Dipole, Da:

0.96

IP(EA), eV:

 -7.78(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(24-phenyl-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),18,20,22,26-dodecaen-15-yl)triphenylene-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C4=C2C=C5C6=CC=CC=C6N(C5=C4)C7=CC=CC=C7)C8=C(C=C3)C9=CC=CC=C9O8

DOS

IR

Vibrations