Geometry & MOs

Info

ID:	355660
PubChem CID:	127289625
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	368.242356
ΔH_f, kcal/mol:	-47.59
Dipole, Da:	6.83
IP(EA), eV:	-8.69(-0.32)
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]-1,4-dioxane-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CN2CCC(CC2)N(C)C(=O)C3=CC4=C(C=C3)C=CN4

DOS

IR

Vibrations