Geometry & MOs

Info

ID:	322710
PubChem CID:	126670864
Reduced:	BrON3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	437.1314
ΔH_f, kcal/mol:	-10.41
Dipole, Da:	6.98
IP(EA), eV:	-8.98(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,3R,4S)-2-[(6-bromo-3-cyclopropylpyridin-2-yl)carbamoyl]-3,4-dimethylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CN[C@@H]([C@@H]1C)C(=O)NC2=C(C=CC(=N2)Br)C3CC3

DOS

IR

Vibrations