Geometry & MOs

Info

ID:	182567
PubChem CID:	76908047
Reduced:	BrFNO4C14H15 (1)
Stoich.:	ABCD4E14F15 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-172.17
Dipole, Da:	3.22
IP(EA), eV:	-9.86(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-[ethyl(propyl)amino]ethoxy]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

COCCN(CC(=O)O)C(=O)C=CC1=C(C=CC(=C1)Br)F

DOS

IR

Vibrations