Geometry & MOs

Info

ID:	342436
PubChem CID:	127265591
Reduced:	O2S2N3C14H19 (1)
Stoich.:	A2B2C3D14E19 (1)
Weight, g/mol:	310.262028
ΔH_f, kcal/mol:	-31.81
Dipole, Da:	5.54
IP(EA), eV:	-9.18(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-[5-(hydroxymethyl)-2-methylpiperidin-1-yl]but-2-enyl]-6-methylpiperidin-3-yl]methanol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)CCNS(=O)(=O)C2=CC=CC=N2

DOS

IR

Vibrations