Geometry & MOs

Info

ID:	333571
PubChem CID:	127252123
Reduced:	O2F3N5C17H18 (1)
Stoich.:	A2B3C5D17E18 (1)
Weight, g/mol:	314.149124
ΔH_f, kcal/mol:	-169.44
Dipole, Da:	4.23
IP(EA), eV:	-9.4(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC(=O)N1CCC(C1)C2=NC(=NC=C2)NC3=NC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations