Geometry & MOs

Info

ID:	148603
PubChem CID:	53788271
Reduced:	F3O3H13C17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	319.214744
ΔH_f, kcal/mol:	-219.52
Dipole, Da:	4.47
IP(EA), eV:	-9.62(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-4-[(1R)-1-hydroxy-1-phenyl-3-pyrrolidin-1-ylpropyl]cyclohexane-1,2-diol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(F)(F)F)C2C3=C(CO2)C=C(C=C3)C=O

DOS

IR

Vibrations