Geometry & MOs

Info

ID:	200482
PubChem CID:	79396252
Reduced:	SN3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	199.157229
ΔH_f, kcal/mol:	43.98
Dipole, Da:	2.93
IP(EA), eV:	-8.49(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-2-one

Drug info:

PubChemData

Smile

CCN(C1CC1)C2=NC(=C(S2)CNC3CC3)C(C)C

DOS

IR

Vibrations