Geometry & MOs

Info

ID:	276461
PubChem CID:	103823447
Reduced:	FN3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	293.140277
ΔH_f, kcal/mol:	3.66
Dipole, Da:	4.41
IP(EA), eV:	-8.96(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-4-methylpentan-2-ol

Drug info:

PubChemData

Smile

CN1CCCC1CNCC2=C(C=C(C=C2)C#N)F

DOS

IR

Vibrations