Geometry & MOs

Info

ID:	362933
PubChem CID:	127309869
Reduced:	OSN5C16H27 (1)
Stoich.:	ABC5D16E27 (1)
Weight, g/mol:	353.279075
ΔH_f, kcal/mol:	-21.13
Dipole, Da:	2.71
IP(EA), eV:	-8.35(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2,2-dimethylpropanoylamino)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)N2CCC(CC2)C3=NC=CS3)C

DOS

IR

Vibrations