Geometry & MOs

Info

ID:	210727
PubChem CID:	80847590
Reduced:	F2N2C4H5 (2)
Stoich.:	A2B2C4D5 (2)
Weight, g/mol:	256.169939
ΔH_f, kcal/mol:	-166.42
Dipole, Da:	3.73
IP(EA), eV:	-8.99(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

CN(CCC(F)(F)F)C1=NC(=NC=C1F)N

DOS

IR

Vibrations