Geometry & MOs

Info

ID:	31266
PubChem CID:	855404
Reduced:	FN6C18H25 (1)
Stoich.:	AB6C18D25 (1)
Weight, g/mol:	280.237545
ΔH_f, kcal/mol:	47.43
Dipole, Da:	5.4
IP(EA), eV:	-8.76(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-ethylpiperazine

Drug info:

PubChemData

Smile

CN1CCN(CC1)[C@@H](C2=CC=CC=C2F)C3=NN=NN3C4CCCC4

DOS

IR

Vibrations