Geometry & MOs

Info

ID:	175796
PubChem CID:	75949056
Reduced:	BrClON4C18H20 (1)
Stoich.:	ABCD4E18F20 (1)
Weight, g/mol:	439.229348
ΔH_f, kcal/mol:	25.03
Dipole, Da:	4.28
IP(EA), eV:	-9.08(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-6-oxo-N-(1-propylpiperidin-4-yl)-2-thiophen-2-ylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=C(C=C(C=C1)Br)Cl)C2CC(NN2)C3=CC=CC=C3

DOS

IR

Vibrations