Geometry & MOs

Info

ID:	134015
PubChem CID:	51625732
Reduced:	ON7C26H35 (1)
Stoich.:	AB7C26D35 (1)
Weight, g/mol:	443.235948
ΔH_f, kcal/mol:	78.74
Dipole, Da:	8.4
IP(EA), eV:	-8.29(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-benzyl-4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]piperazin-1-ium

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)[C@@H](C2=NN=NN2C[C@@H]3CCCO3)N4CCN(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations