Geometry & MOs

Info

ID:	422715
PubChem CID:	135118293
Reduced:	SO3N5C18H19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	330.140199
ΔH_f, kcal/mol:	-22.68
Dipole, Da:	10.34
IP(EA), eV:	-9.37(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[4-hydroxy-4-(5-methylpyridin-2-yl)piperidin-1-yl]methyl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)CN(C)CC2=CC(=CC=C2)N3C=CC=N3)C(=O)O

DOS

IR

Vibrations