Geometry & MOs

Info

ID:	265663
PubChem CID:	103537607
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	279.127072
ΔH_f, kcal/mol:	-134.9
Dipole, Da:	9.75
IP(EA), eV:	-9.08(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-fluoro-5-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations