Geometry & MOs

Info

ID:	126729
PubChem CID:	50975250
Reduced:	SO2N4C15H22 (1)
Stoich.:	AB2C4D15E22 (1)
Weight, g/mol:	297.205242
ΔH_f, kcal/mol:	-17.86
Dipole, Da:	6.34
IP(EA), eV:	-9.33(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(dimethylamino)ethyl]-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C=CC[C@H](N1CC(=O)NC2=NN=C(S2)COC)CC=C

DOS

IR

Vibrations