Geometry & MOs

Info

ID:	435234
PubChem CID:	135185730
Reduced:	ISN4F6O6C20H25 (1)
Stoich.:	ABC4D6E6F20G25 (1)
Weight, g/mol:	551.08927
ΔH_f, kcal/mol:	-448.21
Dipole, Da:	5.87
IP(EA), eV:	-9.12(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-iodo-2-(2-methyl-1-phenylmethoxypropyl)imidazol-1-yl]bicyclo[1.1.1]pentan-1-amine;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC1)C23CC(C2)(C3)N4C=C(N=C4C5CC5)I.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations