Geometry & MOs

Info

ID:	266781
PubChem CID:	103579390
Reduced:	BrNOC13H14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	221.085207
ΔH_f, kcal/mol:	18.0
Dipole, Da:	2.87
IP(EA), eV:	-9.59(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=C(C=CC(=C1)Br)C

DOS

IR

Vibrations