Geometry & MOs

Info

ID:	361842
PubChem CID:	127304813
Reduced:	OSN5C20H31 (1)
Stoich.:	ABC5D20E31 (1)
Weight, g/mol:	389.224932
ΔH_f, kcal/mol:	-8.93
Dipole, Da:	6.85
IP(EA), eV:	-8.65(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-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)C3=NN(C(=C3)C(C)C)C(C)(C)C

DOS

IR

Vibrations