Geometry & MOs

Info

ID:	355272
PubChem CID:	127288204
Reduced:	S2O4N5C14H19 (1)
Stoich.:	A2B4C5D14E19 (1)
Weight, g/mol:	304.226312
ΔH_f, kcal/mol:	-88.54
Dipole, Da:	7.5
IP(EA), eV:	-9.52(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(N1C)CNC(=O)C2=CSC(=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations