Geometry & MOs

Info

ID:	134018
PubChem CID:	51625894
Reduced:	FN6C26H28 (1)
Stoich.:	AB6C26D28 (1)
Weight, g/mol:	442.228123
ΔH_f, kcal/mol:	129.98
Dipole, Da:	8.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.995233
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CC2=CC=CC=C2)[C@H](C3=CC=CC=C3)C4=NN=NN4CC5=CC=C(C=C5)F

DOS

IR

Vibrations