Geometry & MOs

Info

ID:	364915
PubChem CID:	127316561
Reduced:	ON5C23H35 (1)
Stoich.:	AB5C23D35 (1)
Weight, g/mol:	397.149384
ΔH_f, kcal/mol:	-14.93
Dipole, Da:	3.71
IP(EA), eV:	-8.75(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclobutylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C(C)C)C(=O)N3CCN(CC3)C4CCC4)C(C)(C)C

DOS

IR

Vibrations