Geometry & MOs

Info

ID:	420403
PubChem CID:	135112950
Reduced:	O2N3C8H8 (2)
Stoich.:	A2B3C8D8 (2)
Weight, g/mol:	363.158292
ΔH_f, kcal/mol:	-10.83
Dipole, Da:	7.62
IP(EA), eV:	-9.37(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C3=NC(=NO3)CNC(=O)CCCN4C=NC=N4

DOS

IR

Vibrations