Geometry & MOs

Info

ID:	276938
PubChem CID:	103825872
Reduced:	FOBr2N2H11C13 (1)
Stoich.:	ABC2D2E11F13 (1)
Weight, g/mol:	258.116841
ΔH_f, kcal/mol:	-16.34
Dipole, Da:	6.24
IP(EA), eV:	-8.89(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-N-[(4-prop-2-enoxyphenyl)methyl]pyridin-3-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Br)Br)CNC2=CN=C(C=C2)F

DOS

IR

Vibrations