Geometry & MOs

Info

ID:	312500
PubChem CID:	126605944
Reduced:	O3F5N8C27H31 (1)
Stoich.:	A3B5C8D27E31 (1)
Weight, g/mol:	394.191738
ΔH_f, kcal/mol:	-299.74
Dipole, Da:	4.1
IP(EA), eV:	-9.13(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=CNC2=NC=C(N=C12)C(=N)C3=C(C=CC(=C3)OC(F)F)NCC(=O)N4CCN(CC4)CC(F)(F)F

DOS

IR

Vibrations