Geometry & MOs

Info

ID:	31255
PubChem CID:	855366
Reduced:	OSN5C15H21 (1)
Stoich.:	ABC5D15E21 (1)
Weight, g/mol:	342.253195
ΔH_f, kcal/mol:	7.96
Dipole, Da:	1.34
IP(EA), eV:	-8.72(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]-4-phenylpiperazine

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)N)CNC2=C(C=CC=C2C)C

DOS

IR

Vibrations