Geometry & MOs

Info

ID:	337862
PubChem CID:	127258485
Reduced:	FNO7C16H18 (1)
Stoich.:	ABC7D16E18 (1)
Weight, g/mol:	222.105608
ΔH_f, kcal/mol:	-258.24
Dipole, Da:	6.82
IP(EA), eV:	-10.51(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-(2-fluorophenyl)prop-2-enyl] butanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations