Geometry & MOs

Info

ID:	177320
PubChem CID:	76167300
Reduced:	ClFON4C22H22 (1)
Stoich.:	ABCD4E22F22 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	-7.09
Dipole, Da:	6.45
IP(EA), eV:	-8.42(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxy-3-methylbutan-2-yl)-2-(2-methylpyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2=CC3=C(NC=C3C(C)C4=C(C=CC(=C4Cl)F)OC)N=C2

DOS

IR

Vibrations