Geometry & MOs

Info

ID:	273727
PubChem CID:	103799428
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	294.124943
ΔH_f, kcal/mol:	-155.62
Dipole, Da:	4.58
IP(EA), eV:	-9.13(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-1-methylsulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1=CC2=C(C=C1)OCC2

DOS

IR

Vibrations