Geometry & MOs

Info

ID:	270112
PubChem CID:	103628987
Reduced:	BrN2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	273.039041
ΔH_f, kcal/mol:	-68.24
Dipole, Da:	3.86
IP(EA), eV:	-9.06(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-fluoro-N-(2-prop-2-enylsulfanylethyl)benzamide

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C(=O)C3=C(C=CC(=C3)Br)O

DOS

IR

Vibrations