Geometry & MOs

Info

ID:	359339
PubChem CID:	127298388
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	380.188212
ΔH_f, kcal/mol:	-97.03
Dipole, Da:	3.58
IP(EA), eV:	-8.85(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations