Geometry & MOs

Info

ID:	417942
PubChem CID:	135103147
Reduced:	N2O3C21H32 (1)
Stoich.:	A2B3C21D32 (1)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-127.87
Dipole, Da:	6.15
IP(EA), eV:	-8.73(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-1-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)CC(=O)NCCC3=CC=CC=C3OC

DOS

IR

Vibrations