Geometry & MOs

Info

ID:	182731
PubChem CID:	76931594
Reduced:	FNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-154.72
Dipole, Da:	2.89
IP(EA), eV:	-9.75(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-methoxyphenyl)prop-2-enoyl-(2-methylpropyl)amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C=CC(=O)NCCCCC(=O)O

DOS

IR

Vibrations