Geometry & MOs

Info

ID:	333580
PubChem CID:	127252132
Reduced:	FON6H19C20 (1)
Stoich.:	ABC6D19E20 (1)
Weight, g/mol:	338.185509
ΔH_f, kcal/mol:	16.26
Dipole, Da:	1.81
IP(EA), eV:	-9.25(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC(=NC=C2)NC3=NC=CN=C3)C(=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations