Geometry & MOs

Info

ID:	429582
PubChem CID:	135169631
Reduced:	OF3N5H14C21 (1)
Stoich.:	AB3C5D14E21 (1)
Weight, g/mol:	309.0741
ΔH_f, kcal/mol:	-58.2
Dipole, Da:	9.83
IP(EA), eV:	-9.24(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[amino-(3-aminopyridin-4-yl)amino]-5-chloropyridin-3-yl]-N-methoxynitrous amide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N=C(/C(=C\N)/C(=O)NC3=CN=CC(=C3)C#N)C(F)(F)F

DOS

IR

Vibrations