Geometry & MOs

Info

ID:	17574
PubChem CID:	505525
Reduced:	N8H18C19 (1)
Stoich.:	A8B18C19 (1)
Weight, g/mol:	358.165443
ΔH_f, kcal/mol:	156.75
Dipole, Da:	5.79
IP(EA), eV:	-9.1(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-amino-6-[(2,4,6-trimethylphenyl)diazenyl]-1,3,5-triazin-2-yl]amino]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)N=NC2=NC(=NC(=N2)NC3=CC=C(C=C3)C#N)N)C

DOS

IR

Vibrations