Geometry & MOs

Info

ID:	378772
PubChem CID:	134224870
Reduced:	NH27C37 (1)
Stoich.:	AB27C37 (1)
Weight, g/mol:	210.090546
ΔH_f, kcal/mol:	140.74
Dipole, Da:	0.86
IP(EA), eV:	-8.0(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=C(C=C2)C=C(C=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=CC7=CC=CC=C76

DOS

IR

Vibrations