Geometry & MOs

Info

ID:	30971
PubChem CID:	854018
Reduced:	ON5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	176.094963
ΔH_f, kcal/mol:	39.54
Dipole, Da:	3.1
IP(EA), eV:	-8.59(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CCO[C@@H](C1)N2C=NC3=C(N=CN=C32)NCC4=CC=CC=C4

DOS

IR

Vibrations