Geometry & MOs

Info

ID:	417663
PubChem CID:	135102403
Reduced:	Cl2O2N3C16H17 (1)
Stoich.:	A2B2C3D16E17 (1)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	-49.01
Dipole, Da:	4.48
IP(EA), eV:	-9.44(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-1,6-dimethylpyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations