Geometry & MOs

Info

ID:	357582
PubChem CID:	127294255
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	388.204531
ΔH_f, kcal/mol:	-57.47
Dipole, Da:	4.98
IP(EA), eV:	-8.7(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)C(=O)C3=C(N=CC=C3)N4CCOCC4

DOS

IR

Vibrations