Geometry & MOs

Info

ID:	312518
PubChem CID:	126606211
Reduced:	INF3H5C10 (1)
Stoich.:	ABC3D5E10 (1)
Weight, g/mol:	395.186987
ΔH_f, kcal/mol:	-93.09
Dipole, Da:	3.89
IP(EA), eV:	-9.9(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-N-[1-(methylaminomethyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=CN=C2C=C1C(F)(F)F)I

DOS

IR

Vibrations