Geometry & MOs

Info

ID:	276240
PubChem CID:	103821563
Reduced:	SN2F4H12C13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	293.140277
ΔH_f, kcal/mol:	-158.35
Dipole, Da:	2.85
IP(EA), eV:	-9.59(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=C(S1)CNCC2=C(C=C(C=C2)F)C(F)(F)F

DOS

IR

Vibrations