Geometry & MOs

Info

ID:	261745
PubChem CID:	103248980
Reduced:	NO5C8H17 (1)
Stoich.:	AB5C8D17 (1)
Weight, g/mol:	241.091435
ΔH_f, kcal/mol:	-230.78
Dipole, Da:	3.48
IP(EA), eV:	-9.77(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3,5-difluorophenyl)ethylamino]methyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C(COCCO)NCC(CC(=O)O)O

DOS

IR

Vibrations