Geometry & MOs

Info

ID:	309610
PubChem CID:	126550783
Reduced:	ON4H24C40 (1)
Stoich.:	AB4C24D40 (1)
Weight, g/mol:	325.132746
ΔH_f, kcal/mol:	192.08
Dipole, Da:	2.86
IP(EA), eV:	-8.05(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-cyanophenyl)-6-propan-2-yl-1,3,5-triazin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC8=C(C=C7)OC9=CN=CN=C89)C1=CC=CC=C12

DOS

IR

Vibrations