Geometry & MOs

Info

ID:	312516
PubChem CID:	126606184
Reduced:	OF4N8H18C21 (1)
Stoich.:	AB4C8D18E21 (1)
Weight, g/mol:	380.176087
ΔH_f, kcal/mol:	-121.22
Dipole, Da:	5.45
IP(EA), eV:	-8.93(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=NC=C(N1)C(F)(F)F)NC(=O)C2=CNC3=NC=C(N=C23)C(=N)C4=C(C=C(C=C4)F)NC

DOS

IR

Vibrations