Geometry & MOs

Info

ID:	354737
PubChem CID:	127287450
Reduced:	O2N4C17H32 (1)
Stoich.:	A2B4C17D32 (1)
Weight, g/mol:	379.156577
ΔH_f, kcal/mol:	-120.61
Dipole, Da:	6.4
IP(EA), eV:	-8.92(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC(C)N1CCCN(CC1)C(=O)NCC2CCN(CC2)C(=O)C

DOS

IR

Vibrations