Geometry & MOs

Info

ID:	406143
PubChem CID:	135076694
Reduced:	NNaO2C8H10 (1)
Stoich.:	ABC2D8E10 (1)
Weight, g/mol:	269.02154
ΔH_f, kcal/mol:	-87.02
Dipole, Da:	16.75
IP(EA), eV:	-8.65(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromocyclopent-2-en-1-yl)-4-fluoro-N-methylaniline

Drug info:

PubChemData

Smile

C1CCC(CC1)(C#N)C(=O)[O-].[Na+]

DOS

IR

Vibrations