Geometry & MOs

Info

ID:	200558
PubChem CID:	79410532
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	258.100442
ΔH_f, kcal/mol:	-84.37
Dipole, Da:	3.57
IP(EA), eV:	-9.41(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-quinolin-2-ylmethanone

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)O)O

DOS

IR

Vibrations