Geometry & MOs

Info

ID:	266776
PubChem CID:	103579372
Reduced:	NO3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	219.105942
ΔH_f, kcal/mol:	-81.42
Dipole, Da:	3.73
IP(EA), eV:	-9.78(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1COCCO1

DOS

IR

Vibrations