Geometry & MOs

Info

ID:	143935
PubChem CID:	53284277
Reduced:	ClNO3C19H22 (1)
Stoich.:	ABC3D19E22 (1)
Weight, g/mol:	295.194757
ΔH_f, kcal/mol:	-107.54
Dipole, Da:	2.94
IP(EA), eV:	-8.5(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylpentan-3-yl)-2-(4-fluorophenoxy)butanamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC=CC=C1OC(C)C)OC2=CC(=CC=C2)Cl

DOS

IR

Vibrations