Geometry & MOs

Info

ID:	265666
PubChem CID:	103537614
Reduced:	FNO3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-140.82
Dipole, Da:	9.0
IP(EA), eV:	-9.65(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations