Geometry & MOs

Info

ID:	182579
PubChem CID:	76909370
Reduced:	FNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	279.163457
ΔH_f, kcal/mol:	-149.38
Dipole, Da:	5.13
IP(EA), eV:	-9.21(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(dipropylamino)methyl]-2-fluorophenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2=C(C=C(C=C2)C=CC(=O)O)F

DOS

IR

Vibrations