Geometry & MOs

Info

ID:	193968
PubChem CID:	78460651
Reduced:	N3C10H16 (2)
Stoich.:	A3B10C16 (2)
Weight, g/mol:	402.290723
ΔH_f, kcal/mol:	110.75
Dipole, Da:	11.43
IP(EA), eV:	-6.96(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine-1,4-diium

Drug info:

PubChemData

Smile

CC(C)CCN1C(=NN=N1)C(C2=CC=CC=C2)[NH+]3CC[NH+](CC3)CC=C

DOS

IR

Vibrations