Geometry & MOs

Info

ID:	207135
PubChem CID:	80351897
Reduced:	ClSN3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	238.131742
ΔH_f, kcal/mol:	50.96
Dipole, Da:	2.81
IP(EA), eV:	-9.0(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-cyano-3-methylbutanoyl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)CNC2=NC=C(C=N2)Cl

DOS

IR

Vibrations