Geometry & MOs

Info

ID:	204936
PubChem CID:	80034788
Reduced:	O2F3N3C13H16 (1)
Stoich.:	A2B3C3D13E16 (1)
Weight, g/mol:	264.113728
ΔH_f, kcal/mol:	-216.07
Dipole, Da:	5.8
IP(EA), eV:	-9.24(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=C(C(=CC=C2)C(F)(F)F)NN)O

DOS

IR

Vibrations