Geometry & MOs

Info

ID:	355686
PubChem CID:	127289667
Reduced:	O2N5C19H29 (1)
Stoich.:	A2B5C19D29 (1)
Weight, g/mol:	359.232125
ΔH_f, kcal/mol:	-53.26
Dipole, Da:	6.07
IP(EA), eV:	-8.77(-0.49)
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]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CN2CCC(CC2)N(C)C(=O)C3=CC=NC=C3

DOS

IR

Vibrations