Geometry & MOs

Info

ID:	200557
PubChem CID:	79410522
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	283.120843
ΔH_f, kcal/mol:	-85.49
Dipole, Da:	3.85
IP(EA), eV:	-9.22(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(4-phenylphenyl)methanone

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1CC2=NC3=CC=CC=C3NC2=O)O)O

DOS

IR

Vibrations