Geometry & MOs

Info

ID:

311214

PubChem CID:

126589928

Reduced:

N2H28C41 (1)

Stoich.:

A2B28C41 (1)

Weight, g/mol:

614.210661

ΔHf, kcal/mol:

180.06

Dipole, Da:

2.42

IP(EA), eV:

 -7.78(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-oxa-14-azaheptacyclo[15.13.0.03,15.04,13.05,10.019,24.025,30]triaconta-1(17),2,4(13),5,7,9,11,15,19,21,23,25,27,29-tetradecaene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3=C(C4=CC5=CC=CC=C5C=C42)C6=C(C=C3)N(C7=CC=CC=C7C8=CC=CC=C86)C9=CC=CC=C9

DOS

IR

Vibrations