Geometry & MOs

Info

ID:	333579
PubChem CID:	127252131
Reduced:	FON5H20C21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	378.160437
ΔH_f, kcal/mol:	2.01
Dipole, Da:	3.45
IP(EA), eV:	-9.06(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-1-[3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC(=NC=C2)NC3=CC=CC=N3)C(=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations