Geometry & MOs

Info

ID:	364887
PubChem CID:	127316395
Reduced:	SN3O3C16H29 (1)
Stoich.:	AB3C3D16E29 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-140.39
Dipole, Da:	2.35
IP(EA), eV:	-8.62(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-cyclobutylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C3CCC3

DOS

IR

Vibrations