Geometry & MOs

Info

ID:	78133
PubChem CID:	49681705
Reduced:	SO3N4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	371.166748
ΔH_f, kcal/mol:	-40.13
Dipole, Da:	2.85
IP(EA), eV:	-8.83(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-benzyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]oxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)C(=O)NCC2CCN(CC2)CC3=CSC=C3

DOS

IR

Vibrations