Geometry & MOs

Info

ID:	364905
PubChem CID:	127316493
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	309.162332
ΔH_f, kcal/mol:	-91.33
Dipole, Da:	5.38
IP(EA), eV:	-8.93(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclobutylpiperazin-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)C3CCC(=O)NC3

DOS

IR

Vibrations