Geometry & MOs

Info

ID:	436518
PubChem CID:	135204796
Reduced:	OSN5H15C17 (1)
Stoich.:	ABC5D15E17 (1)
Weight, g/mol:	305.06266
ΔH_f, kcal/mol:	89.03
Dipole, Da:	5.69
IP(EA), eV:	-9.36(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S,4S)-3-(2-bromoacetyl)-4-methylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CN(C1=NC(=CS1)C2=CC=CC(=C2)C#N)C(=O)[C@@H]3CCCN3C#N

DOS

IR

Vibrations