Geometry & MOs

Info

ID:	259398
PubChem CID:	103165243
Reduced:	NSO2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	261.116507
ΔH_f, kcal/mol:	-36.84
Dipole, Da:	4.42
IP(EA), eV:	-9.03(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclobutyl-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1CC(C1)CC(=O)NCC2=CC(=CS2)C#CCCO

DOS

IR

Vibrations