Geometry & MOs

Info

ID:	5390
PubChem CID:	13095
Reduced:	NF3O3C11H12 (1)
Stoich.:	AB3C3D11E12 (1)
Weight, g/mol:	263.076928
ΔH_f, kcal/mol:	-284.69
Dipole, Da:	2.83
IP(EA), eV:	-10.08(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-hydroxy-3-[3-(trifluoromethyl)phenyl]propyl] carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)CC(COC(=O)N)O

DOS

IR

Vibrations