Geometry & MOs

Info

ID:	136216
PubChem CID:	51999951
Reduced:	OSN5C10H17 (1)
Stoich.:	ABC5D10E17 (1)
Weight, g/mol:	312.173231
ΔH_f, kcal/mol:	27.84
Dipole, Da:	8.57
IP(EA), eV:	-9.4(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C(=NN=N1)CSCC(=O)NC2CC2

DOS

IR

Vibrations