Geometry & MOs

Info

ID:	361097
PubChem CID:	127302013
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	324.252526
ΔH_f, kcal/mol:	-110.04
Dipole, Da:	4.17
IP(EA), eV:	-8.43(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)C2=CC=C(C=C2)CN3C(=O)CCC3=O)C

DOS

IR

Vibrations