Geometry & MOs

Info

ID:	172422
PubChem CID:	75508271
Reduced:	BrSF2N3O3C13H14 (1)
Stoich.:	ABC2D3E3F13G14 (1)
Weight, g/mol:	318.03678
ΔH_f, kcal/mol:	-146.79
Dipole, Da:	3.7
IP(EA), eV:	-9.23(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(2-prop-2-enoxyphenyl)methyl]pyridin-3-amine

Drug info:

PubChemData

Smile

COCC1=NSC(=N1)NCC2=CC(=C(C(=C2)Br)OC(F)F)OC

DOS

IR

Vibrations