Geometry & MOs

Info

ID:	333585
PubChem CID:	127252137
Reduced:	F3N7H14C17 (1)
Stoich.:	A3B7C14D17 (1)
Weight, g/mol:	352.201159
ΔH_f, kcal/mol:	-22.04
Dipole, Da:	2.8
IP(EA), eV:	-9.36(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CN1C2=NC=CC=N2)C3=NC(=NC=C3)NC4=NC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations