Geometry & MOs

Info

ID:	404197
PubChem CID:	135065382
Reduced:	FNO4C14H14 (1)
Stoich.:	ABC4D14E14 (1)
Weight, g/mol:	180.095043
ΔH_f, kcal/mol:	-191.92
Dipole, Da:	3.84
IP(EA), eV:	-10.41(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-fluoro-3-(4-methylphenyl)but-3-en-1-ol

Drug info:

PubChemData

Smile

CC(C)([C@@H](C(=O)OC)N1C(=O)C2=CC=CC=C2C1=O)F

DOS

IR

Vibrations