Geometry & MOs

Info

ID:	134017
PubChem CID:	51625893
Reduced:	FN6C26H27 (1)
Stoich.:	AB6C26D27 (1)
Weight, g/mol:	443.235948
ΔH_f, kcal/mol:	110.65
Dipole, Da:	5.91
IP(EA), eV:	-8.7(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)[C@@H](C3=CC=CC=C3)C4=NN=NN4CC5=CC=C(C=C5)F

DOS

IR

Vibrations