Geometry & MOs

Info

ID:	192415
PubChem CID:	78267138
Reduced:	FNO2C17H27 (1)
Stoich.:	ABC2D17E27 (1)
Weight, g/mol:	307.077047
ΔH_f, kcal/mol:	-109.38
Dipole, Da:	0.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754121
Charge, e:	-1

Chem-info

IUPAC name:

3-[5-(4-fluorophenyl)furan-2-yl]-2-phenylprop-2-enoate

Drug info:

PubChemData

Smile

C[NH+](CC(COCC1=CC=CC=C1F)O)C2CCCCC2

DOS

IR

Vibrations