Geometry & MOs

Info

ID:	280470
PubChem CID:	103849431
Reduced:	BrNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	292.109293
ΔH_f, kcal/mol:	-121.09
Dipole, Da:	1.75
IP(EA), eV:	-9.83(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxyoxolan-3-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C(=O)NCC2(CCOC2)O

DOS

IR

Vibrations