Geometry & MOs

Info

ID:	415670
PubChem CID:	135088669
Reduced:	SN3O4C14H21 (1)
Stoich.:	AB3C4D14E21 (1)
Weight, g/mol:	328.109089
ΔH_f, kcal/mol:	-160.51
Dipole, Da:	4.13
IP(EA), eV:	-9.15(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)C3=CSC(=N3)N)O

DOS

IR

Vibrations