Geometry & MOs

Info

ID:	361552
PubChem CID:	127303744
Reduced:	OSN6C17H24 (1)
Stoich.:	ABC6D17E24 (1)
Weight, g/mol:	394.294391
ΔH_f, kcal/mol:	27.57
Dipole, Da:	5.87
IP(EA), eV:	-8.65(-0.17)
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]-3-(oxan-2-yl)propanamide

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3CCCN3C4=NC=CS4

DOS

IR

Vibrations