Geometry & MOs

Info

ID:	399469
PubChem CID:	135040473
Reduced:	LiBr3H6C12 (1)
Stoich.:	AB3C6D12 (1)
Weight, g/mol:	201.100108
ΔH_f, kcal/mol:	62.49
Dipole, Da:	6.24
IP(EA), eV:	-8.74(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1S,2S)-2-nitrocyclopentyl]acetate

Drug info:

PubChemData

Smile

[Li+].C1=CC(=[C-]C(=C1)Br)C2=C(C=CC=C2Br)Br

DOS

IR

Vibrations