Geometry & MOs

Info

ID:	279351
PubChem CID:	103843299
Reduced:	NO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	281.179107
ΔH_f, kcal/mol:	-112.73
Dipole, Da:	3.57
IP(EA), eV:	-9.29(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(4-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=CC2=C(O1)C=CC(=C2)C)CO

DOS

IR

Vibrations