Geometry & MOs

Info

ID:	364931
PubChem CID:	127316577
Reduced:	NOC7H12 (2)
Stoich.:	ABC7D12 (2)
Weight, g/mol:	391.192963
ΔH_f, kcal/mol:	-91.5
Dipole, Da:	2.6
IP(EA), eV:	-8.71(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclobutylpiperazin-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)C3CCOCC3

DOS

IR

Vibrations