Geometry & MOs

Info

ID:	136217
PubChem CID:	52000011
Reduced:	OSN6C13H24 (1)
Stoich.:	ABC6D13E24 (1)
Weight, g/mol:	374.188881
ΔH_f, kcal/mol:	6.83
Dipole, Da:	2.3
IP(EA), eV:	-8.65(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-benzylpiperazin-1-yl)-2-[(1-propan-2-yltetrazol-5-yl)methylsulfanyl]ethanone

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)CSCC2=NN=NN2C(C)C

DOS

IR

Vibrations