Geometry & MOs

Info

ID:	429796
PubChem CID:	135169848
Reduced:	ClF3O3N6H16C21 (1)
Stoich.:	AB3C3D6E16F21 (1)
Weight, g/mol:	250.073372
ΔH_f, kcal/mol:	-184.75
Dipole, Da:	6.91
IP(EA), eV:	-9.12(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[amino-(3-aminopyridin-4-yl)amino]-5-chloropyridin-3-amine

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C=C(C=N1)NC(=O)/C(=C/N)/C(=NC2=CC=CC3=C2C=CNC3=O)C(F)(F)F)Cl

DOS

IR

Vibrations