Geometry & MOs

Info

ID:	165432
PubChem CID:	74548501
Reduced:	ON2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	425.246513
ΔH_f, kcal/mol:	18.66
Dipole, Da:	1.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752402
Charge, e:	1

Chem-info

IUPAC name:

1-cyclohexyl-4-[(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-ium

Drug info:

PubChemData

Smile

C1CC(CC=C1)C[NH+]2CCN(CC2)CC3=CC=CO3

DOS

IR

Vibrations