Geometry & MOs

Info

ID:	285468
PubChem CID:	104107982
Reduced:	SN2F3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	257.12949
ΔH_f, kcal/mol:	-114.26
Dipole, Da:	6.37
IP(EA), eV:	-8.98(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-chloro-2-propylpyrimidin-4-yl)amino]pentan-2-ol

Drug info:

PubChemData

Smile

CC1CC(SC(=N1)NC2=CC(=C(C(=C2)F)F)F)C

DOS

IR

Vibrations