Geometry & MOs

Info

ID:	183876
PubChem CID:	77084571
Reduced:	OS2N3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	346.135114
ΔH_f, kcal/mol:	16.52
Dipole, Da:	0.52
IP(EA), eV:	-9.02(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-hydroxy-4-(5-methylpyridin-2-yl)piperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C(=O)C2=CSC(=N2)SC)C#N

DOS

IR

Vibrations