Geometry & MOs

Info

ID:	275933
PubChem CID:	103819245
Reduced:	BrFN3O3H7C12 (1)
Stoich.:	ABC3D3E7F12 (1)
Weight, g/mol:	282.03678
ΔH_f, kcal/mol:	-36.11
Dipole, Da:	4.93
IP(EA), eV:	-9.62(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromopyridin-3-yl)-1-methylcyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)Br)NC(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations