Geometry & MOs

Info

ID:	333593
PubChem CID:	127252145
Reduced:	F3N7C18H18 (1)
Stoich.:	A3B7C18D18 (1)
Weight, g/mol:	394.155352
ΔH_f, kcal/mol:	-53.71
Dipole, Da:	5.03
IP(EA), eV:	-9.15(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC(=NC=C2)NC3=NC=CC(=C3)C(F)(F)F)CC4=NC=CN4

DOS

IR

Vibrations