Geometry & MOs

Info

ID:	249674
PubChem CID:	103091280
Reduced:	FNO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	194.110693
ΔH_f, kcal/mol:	-77.94
Dipole, Da:	8.02
IP(EA), eV:	-9.88(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(4-fluoro-2-methylphenyl)-3-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

CC(/C(=C/C1=CC(=C(C=C1)F)[N+](=O)[O-])/C)O

DOS

IR

Vibrations