Geometry & MOs

Info

ID:	174219
PubChem CID:	75742322
Reduced:	ON2F3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	467.277064
ΔH_f, kcal/mol:	-190.73
Dipole, Da:	1.07
IP(EA), eV:	-8.73(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-cyclohexyl-4-[(3,4-dimethoxyphenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-1-ium

Drug info:

PubChemData

Smile

CCC1C[NH+]2CCC1CC2C[NH2+]CC3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations