Geometry & MOs

Info

ID:	266697
PubChem CID:	103579123
Reduced:	NOF3C9H12 (1)
Stoich.:	ABC3D9E12 (1)
Weight, g/mol:	219.105942
ΔH_f, kcal/mol:	-187.33
Dipole, Da:	4.47
IP(EA), eV:	-10.18(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-methyl-N-pent-1-yn-3-ylbenzamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)CCC(F)(F)F

DOS

IR

Vibrations