Geometry & MOs

Info

ID:	78156
PubChem CID:	49681737
Reduced:	SN3O3C21H27 (1)
Stoich.:	AB3C3D21E27 (1)
Weight, g/mol:	401.177313
ΔH_f, kcal/mol:	-78.99
Dipole, Da:	2.5
IP(EA), eV:	-8.74(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)C(=O)NCC2CCN(CC2)CC3=CSC=C3

DOS

IR

Vibrations