Geometry & MOs

Info

ID:	369569
PubChem CID:	127334624
Reduced:	OSN6C17H22 (1)
Stoich.:	ABC6D17E22 (1)
Weight, g/mol:	332.23246
ΔH_f, kcal/mol:	36.76
Dipole, Da:	4.45
IP(EA), eV:	-8.73(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpiperazin-1-yl)-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NN=CC=C2)NC(=O)C3CCCN3C4=NC=CS4

DOS

IR

Vibrations