Geometry & MOs

Info

ID:	258578
PubChem CID:	103155353
Reduced:	SN4O4C9H20 (1)
Stoich.:	AB4C4D9E20 (1)
Weight, g/mol:	269.210327
ΔH_f, kcal/mol:	-166.13
Dipole, Da:	2.94
IP(EA), eV:	-9.25(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one

Drug info:

PubChemData

Smile

COC(CC(=O)N1CCN(CC1)S(=O)(=O)N)CN

DOS

IR

Vibrations