Geometry & MOs

Info

ID:	322587
PubChem CID:	126670571
Reduced:	NO4C15H25 (1)
Stoich.:	AB4C15D25 (1)
Weight, g/mol:	397.1001
ΔH_f, kcal/mol:	-193.8
Dipole, Da:	4.38
IP(EA), eV:	-9.71(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC(=O)[C@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C

DOS

IR

Vibrations