Geometry & MOs

Info

ID:	78169
PubChem CID:	49681758
Reduced:	SN3O4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	417.172228
ΔH_f, kcal/mol:	-112.73
Dipole, Da:	4.04
IP(EA), eV:	-8.69(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations