Geometry & MOs

Info

ID:	367071
PubChem CID:	127323058
Reduced:	S2O3N4C16H18 (1)
Stoich.:	A2B3C4D16E18 (1)
Weight, g/mol:	292.189926
ΔH_f, kcal/mol:	-36.37
Dipole, Da:	5.72
IP(EA), eV:	-8.45(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[6-[methyl(oxolan-3-yl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)N3CCN(CC3)S(=O)(=O)C4=CSC(=N4)C

DOS

IR

Vibrations