Geometry & MOs

Info

ID:	354648
PubChem CID:	127287265
Reduced:	SN3O3C16H31 (1)
Stoich.:	AB3C3D16E31 (1)
Weight, g/mol:	393.310376
ΔH_f, kcal/mol:	-159.66
Dipole, Da:	6.12
IP(EA), eV:	-8.72(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-oxo-2-piperidin-1-ylethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCS(=O)(=O)C1)C(=O)NCC2CCCN(C2)C(C)C

DOS

IR

Vibrations