Geometry & MOs

Info

ID:	374788
PubChem CID:	131344078
Reduced:	BrO2S2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	124.100048
ΔH_f, kcal/mol:	-45.94
Dipole, Da:	4.48
IP(EA), eV:	-9.12(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethylpyrrolidine-2-carbonitrile

Drug info:

PubChemData

Smile

CSC1=CC=CC2=C1SC(=C2C(=O)O)CBr

DOS

IR

Vibrations