Geometry & MOs

Info

ID:	364899
PubChem CID:	127316487
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	310.157581
ΔH_f, kcal/mol:	-108.24
Dipole, Da:	2.54
IP(EA), eV:	-8.78(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclobutylpiperazin-1-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-one

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)C3CCN(CC3)C(=O)CCOC4=CC=CC=C4

DOS

IR

Vibrations