Geometry & MOs

Info

ID:	265664
PubChem CID:	103537610
Reduced:	FNO3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-140.45
Dipole, Da:	8.22
IP(EA), eV:	-9.38(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

COC1CCN(C1)CC2=CC(=CC(=C2)F)/C=C/C(=O)O

DOS

IR

Vibrations