Geometry & MOs

Info

ID:	275936
PubChem CID:	103819257
Reduced:	BrFN3O3H7C12 (1)
Stoich.:	ABC3D3E7F12 (1)
Weight, g/mol:	254.00548
ΔH_f, kcal/mol:	-36.0
Dipole, Da:	2.32
IP(EA), eV:	-9.63(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromopyridin-3-yl)pent-4-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations