Geometry & MOs

Info

ID:	290085
PubChem CID:	104407805
Reduced:	BrOSN3C15H20 (1)
Stoich.:	ABCD3E15F20 (1)
Weight, g/mol:	282.205576
ΔH_f, kcal/mol:	-27.04
Dipole, Da:	2.17
IP(EA), eV:	-8.61(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCCC1)NC2=C(C=C(C=C2)C(=S)N)Br

DOS

IR

Vibrations