Geometry & MOs

Info

ID:	441822
PubChem CID:	135245384
Reduced:	N5H27C36 (1)
Stoich.:	A5B27C36 (1)
Weight, g/mol:	681.289246
ΔH_f, kcal/mol:	239.28
Dipole, Da:	2.58
IP(EA), eV:	-8.87(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1-(2-ethenylphenyl)prop-1-en-2-yl]-4,6-diphenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

C/C=C\C=C(/C=C)\C1=NN=C(C=C1)C2=C(C3=CC=CC=C3C=C2)C4=NC(=NC(=N4)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations