Geometry & MOs

Info

ID:	327298
PubChem CID:	126689441
Reduced:	FSN3O6C21H22 (1)
Stoich.:	ABC3D6E21F22 (1)
Weight, g/mol:	190.135765
ΔH_f, kcal/mol:	-206.99
Dipole, Da:	2.98
IP(EA), eV:	-9.03(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylcyclopropyl)-1-phenylpropan-1-ol

Drug info:

PubChemData

Smile

C[C@@](CCN1C=NC2=C(C1=O)C=CC(=C2)C3=CC(=C(C=C3)OC)F)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations