Geometry & MOs

Info

ID:	440315
PubChem CID:	135230262
Reduced:	SO2N6C12H12 (1)
Stoich.:	AB2C6D12E12 (1)
Weight, g/mol:	189.01531
ΔH_f, kcal/mol:	55.31
Dipole, Da:	7.21
IP(EA), eV:	-9.26(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromoprop-1-en-2-yl)pyrrolidine

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=CC=CC=C3N=C2SCC(=O)OC

DOS

IR

Vibrations