Geometry & MOs

Info

ID:	333544
PubChem CID:	127252096
Reduced:	OF3N5H18C21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	346.154209
ΔH_f, kcal/mol:	-97.28
Dipole, Da:	5.85
IP(EA), eV:	-9.34(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations