Geometry & MOs

Info

ID:	31339
PubChem CID:	855595
Reduced:	NSO2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	340.237545
ΔH_f, kcal/mol:	-62.43
Dipole, Da:	6.61
IP(EA), eV:	-9.01(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-phenylpiperazine

Drug info:

PubChemData

Smile

CCC1=CC2=CC=CC(=C2N=C1SCC(=O)O)C

DOS

IR

Vibrations