Geometry & MOs

Info

ID:	45423
PubChem CID:	10513074
Reduced:	NO4C10H21 (1)
Stoich.:	AB4C10D21 (1)
Weight, g/mol:	220.051128
ΔH_f, kcal/mol:	-223.01
Dipole, Da:	2.2
IP(EA), eV:	-9.69(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-fluoro-3-(trifluoromethyl)phenyl]prop-2-en-1-ol

Drug info:

PubChemData

Smile

C[C@@H](CO)[C@@H](CO)NC(=O)OC(C)(C)C

DOS

IR

Vibrations