Geometry & MOs

Info

ID:	84250
PubChem CID:	49865109
Reduced:	FN6C25H31 (1)
Stoich.:	AB6C25D31 (1)
Weight, g/mol:	420.243773
ΔH_f, kcal/mol:	69.44
Dipole, Da:	4.18
IP(EA), eV:	-8.45(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-1-cyclobutyl-2-methylpiperazine

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCCN(CC2)C(C3=CC=C(C=C3)F)C4=NN=NN4CC5=CC=CC=C5

DOS

IR

Vibrations