Geometry & MOs

Info

ID:	49157
PubChem CID:	11528771
Reduced:	NOC15H23 (1)
Stoich.:	ABC15D23 (1)
Weight, g/mol:	233.00514
ΔH_f, kcal/mol:	-69.9
Dipole, Da:	4.94
IP(EA), eV:	-9.23(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-bromo-2-pyrrolidin-2-ylideneacetate

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2CC[C@]34CCCC[C@@H]3[C@]2(N(C4)C1=O)C

DOS

IR

Vibrations