Geometry & MOs

Info

ID:	436519
PubChem CID:	135204797
Reduced:	BrNO3C12H20 (1)
Stoich.:	ABC3D12E20 (1)
Weight, g/mol:	337.099731
ΔH_f, kcal/mol:	-162.6
Dipole, Da:	2.98
IP(EA), eV:	-9.76(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-N-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H]1C(=O)CBr)C(=O)OC(C)(C)C

DOS

IR

Vibrations