Geometry & MOs

Info

ID:	144356
PubChem CID:	53353415
Reduced:	OF3N4H13C17 (1)
Stoich.:	AB3C4D13E17 (1)
Weight, g/mol:	325.109423
ΔH_f, kcal/mol:	-88.04
Dipole, Da:	6.84
IP(EA), eV:	-8.94(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-chloro-5-(dimethylamino)phenyl]-5-phenyl-1,2,4-triazin-3-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=C(N=C(N=N2)N)C3=CC=CC=C3)C(F)(F)F

DOS

IR

Vibrations