Geometry & MOs

Info

ID:	345529
PubChem CID:	127269829
Reduced:	O2N6C17H26 (1)
Stoich.:	A2B6C17D26 (1)
Weight, g/mol:	388.258674
ΔH_f, kcal/mol:	-58.83
Dipole, Da:	3.87
IP(EA), eV:	-8.46(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[acetyl(methyl)amino]-N-[[2-(4-methylpiperazin-1-yl)pyridin-4-yl]methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=CC(=C2)CNC(=O)NC3CCCNC3=O

DOS

IR

Vibrations