Geometry & MOs

Info

ID:	288955
PubChem CID:	104328920
Reduced:	FN2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	303.072928
ΔH_f, kcal/mol:	-26.31
Dipole, Da:	3.75
IP(EA), eV:	-9.36(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)NC2=CC=CC(=N2)C#CCO

DOS

IR

Vibrations