Geometry & MOs

Info

ID:	207828
PubChem CID:	80454932
Reduced:	ClNO2C12H18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	278.143056
ΔH_f, kcal/mol:	-76.32
Dipole, Da:	4.96
IP(EA), eV:	-9.2(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyano-3-fluorophenoxy)-N-(2-methylbutan-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)CCOCCOC1=CN=C(C=C1)Cl

DOS

IR

Vibrations