Geometry & MOs

Info

ID:	355690
PubChem CID:	127289671
Reduced:	O3N5C20H31 (1)
Stoich.:	A3B5C20D31 (1)
Weight, g/mol:	352.247441
ΔH_f, kcal/mol:	-111.83
Dipole, Da:	2.82
IP(EA), eV:	-8.72(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CN2CCC(CC2)N(C)C(=O)CN3C=CC=CC3=O

DOS

IR

Vibrations