Geometry & MOs

Info

ID:	292054
PubChem CID:	114169834
Reduced:	O2N3F4C9H9 (1)
Stoich.:	A2B3C4D9E9 (1)
Weight, g/mol:	285.124405
ΔH_f, kcal/mol:	-255.9
Dipole, Da:	1.56
IP(EA), eV:	-8.86(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(6-chloro-2-propylpyrimidin-4-yl)amino]oxan-4-yl]methanol

Drug info:

PubChemData

Smile

C1=C(C(=CN=C1NCC(C(F)F)(F)F)N)C(=O)O

DOS

IR

Vibrations