Geometry & MOs

Info

ID:	364909
PubChem CID:	127316497
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	343.237211
ΔH_f, kcal/mol:	-99.98
Dipole, Da:	1.66
IP(EA), eV:	-8.72(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3-(4-cyclobutylpiperazin-1-yl)-3-oxopropyl]-3,5-dimethylpyrazol-1-yl]propanenitrile

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)N3CCN(CC3)C4CCC4

DOS

IR

Vibrations