Geometry & MOs

Info

ID:	364908
PubChem CID:	127316496
Reduced:	N3O3C16H27 (1)
Stoich.:	A3B3C16D27 (1)
Weight, g/mol:	391.192963
ΔH_f, kcal/mol:	-126.69
Dipole, Da:	5.51
IP(EA), eV:	-8.95(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclobutylpiperazin-1-yl)-(2-piperidin-1-ylsulfonylphenyl)methanone

Drug info:

PubChemData

Smile

COCCN1CC(CC1=O)C(=O)N2CCN(CC2)C3CCC3

DOS

IR

Vibrations