Geometry & MOs

Info

ID:

324667

PubChem CID:

126678103

Reduced:

O3N4C22H30 (1)

Stoich.:

A3B4C22D30 (1)

Weight, g/mol:

735.299811

ΔHf, kcal/mol:

-22.85

Dipole, Da:

5.23

IP(EA), eV:

 -8.91(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

25-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-15-phenyl-5-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

CCCN(C1=NC2=CC=CC=C2N1CCOC)/C(=C/C(=C\C)/C(=O)NO)/C(=C)C

DOS

IR

Vibrations