Geometry & MOs

Info

ID:	438321
PubChem CID:	135228054
Reduced:	BrFN3H15C18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	179.038257
ΔH_f, kcal/mol:	39.63
Dipole, Da:	2.15
IP(EA), eV:	-8.43(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-1-nitro-4-prop-1-ynylbenzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=C(C=CC=N2)F)NC3=C(C=CC(=C3)Br)N

DOS

IR

Vibrations