Geometry & MOs

Info

ID:	294002
PubChem CID:	117421580
Reduced:	FNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	267.147058
ΔH_f, kcal/mol:	-140.05
Dipole, Da:	3.44
IP(EA), eV:	-8.52(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(2,5-dimethoxy-4-propylphenyl)propanoic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C2C(=C1)OCO2)C3(CCCC3)CN)F

DOS

IR

Vibrations