Geometry & MOs

Info

ID:	206124
PubChem CID:	80208302
Reduced:	BrFON4H8C13 (1)
Stoich.:	ABCD4E8F13 (1)
Weight, g/mol:	240.02621
ΔH_f, kcal/mol:	39.3
Dipole, Da:	4.92
IP(EA), eV:	-9.21(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromopyridin-3-yl)-3-methylbut-2-en-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C2=NC(=NO2)C3=CC(=CN=C3)Br)N

DOS

IR

Vibrations