Geometry & MOs

Info

ID:	261746
PubChem CID:	103249003
Reduced:	NF2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	279.183444
ΔH_f, kcal/mol:	-149.13
Dipole, Da:	6.01
IP(EA), eV:	-10.23(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C=C(CNCCC1=CC(=CC(=C1)F)F)C(=O)O

DOS

IR

Vibrations