Geometry & MOs

Info

ID:	361836
PubChem CID:	127304807
Reduced:	SO3N5C18H25 (1)
Stoich.:	AB3C5D18E25 (1)
Weight, g/mol:	319.146681
ΔH_f, kcal/mol:	-111.68
Dipole, Da:	6.25
IP(EA), eV:	-9.12(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpyrazol-1-yl)-1-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCN(CC2)C(=O)C3CCC4(CC3)C(=O)NC(=O)N4

DOS

IR

Vibrations