Geometry & MOs

Info

ID:	418594
PubChem CID:	135106023
Reduced:	OF3N5C19H22 (1)
Stoich.:	AB3C5D19E22 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-142.86
Dipole, Da:	7.86
IP(EA), eV:	-8.71(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidine-1-carbonyl]pyridin-2-one

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC(=CC(=N2)N3C[C@H]([C@@H](C3)O)CC4=CC=CC=N4)C(F)(F)F

DOS

IR

Vibrations