Geometry & MOs

Info

ID:	266708
PubChem CID:	103579149
Reduced:	NOSC15H19 (1)
Stoich.:	ABCD15E19 (1)
Weight, g/mol:	283.0008
ΔH_f, kcal/mol:	-3.39
Dipole, Da:	4.45
IP(EA), eV:	-9.1(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-fluoro-N-pent-1-yn-3-ylbenzamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=CC2=C(S1)CCCCC2

DOS

IR

Vibrations