Geometry & MOs

Info

ID:	363370
PubChem CID:	127310907
Reduced:	ON5C19H29 (1)
Stoich.:	AB5C19D29 (1)
Weight, g/mol:	388.204531
ΔH_f, kcal/mol:	9.98
Dipole, Da:	4.64
IP(EA), eV:	-8.41(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2CCN(CC2)C(=O)C3=NC(=NC=C3)C4CC4

DOS

IR

Vibrations