Geometry & MOs

Info

ID:	286199
PubChem CID:	104160129
Reduced:	BrNSO4C14H22 (1)
Stoich.:	ABCD4E14F22 (1)
Weight, g/mol:	219.137162
ΔH_f, kcal/mol:	-156.64
Dipole, Da:	7.25
IP(EA), eV:	-9.57(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)OCCCCNS(=O)(=O)C1=CC(=C(C=C1)OC)Br

DOS

IR

Vibrations