Geometry & MOs

Info

ID:	265660
PubChem CID:	103537601
Reduced:	FNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-100.63
Dipole, Da:	6.76
IP(EA), eV:	-9.08(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1CN(CC1OC)CC2=CC(=C(C=C2)F)C#CCO

DOS

IR

Vibrations