Geometry & MOs

Info

ID:	343791
PubChem CID:	127266967
Reduced:	FN5C16H22 (1)
Stoich.:	AB5C16D22 (1)
Weight, g/mol:	286.129298
ΔH_f, kcal/mol:	11.25
Dipole, Da:	3.66
IP(EA), eV:	-8.33(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-[2-(2,2,2-trifluoroethoxy)anilino]pentanenitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCN(CC2)CC3=NNC(=N3)C)F

DOS

IR

Vibrations