Geometry & MOs

Info

ID:	449065
PubChem CID:	135295690
Reduced:	F3N3O3C33H38 (1)
Stoich.:	A3B3C3D33E38 (1)
Weight, g/mol:	494.247047
ΔH_f, kcal/mol:	-178.13
Dipole, Da:	6.38
IP(EA), eV:	-8.41(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(6-cyclohex-2-en-1-ylcyclohexen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

C[C@H](CC1=CC2=C(C(=C1)C#N)N(CC2)CCCOC(=C)C3=CC=CC=C3)NCCOC4=CCCC=C4OCC(F)(F)F

DOS

IR

Vibrations