Geometry & MOs

Info

ID:	182597
PubChem CID:	76911893
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	291.163457
ΔH_f, kcal/mol:	-43.25
Dipole, Da:	4.16
IP(EA), eV:	-8.98(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[cyclopropyl(2-methylpropyl)amino]methyl]-5-fluorophenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)CN(CC1=CC=CC=C1C=CC(=O)O)C2CC2

DOS

IR

Vibrations