Geometry & MOs

Info

ID:	364943
PubChem CID:	127316593
Reduced:	ON2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	350.188881
ΔH_f, kcal/mol:	-38.6
Dipole, Da:	4.87
IP(EA), eV:	-8.84(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclobutylpiperazin-1-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)CCC(=O)N2CCN(CC2)C3CCC3

DOS

IR

Vibrations