Geometry & MOs

Info

ID:	308143
PubChem CID:	125317136
Reduced:	SN3O3H13C15 (1)
Stoich.:	AB3C3D13E15 (1)
Weight, g/mol:	220.157563
ΔH_f, kcal/mol:	-40.2
Dipole, Da:	4.98
IP(EA), eV:	-9.17(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-methyl-5-[(2S)-1-propylpyrrolidin-2-yl]-3H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC[C@@H](C2=O)C=NC3=NC(=S)NC(=O)C3

DOS

IR

Vibrations