Geometry & MOs

Info

ID:	78154
PubChem CID:	49681735
Reduced:	SN3O3C21H27 (1)
Stoich.:	AB3C3D21E27 (1)
Weight, g/mol:	401.177313
ΔH_f, kcal/mol:	-83.3
Dipole, Da:	2.43
IP(EA), eV:	-8.51(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)C(=O)NCC2CCN(CC2)CC3=CSC=C3

DOS

IR

Vibrations