Geometry & MOs

Info

ID:	294417
PubChem CID:	117460130
Reduced:	ClNO4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	285.076786
ΔH_f, kcal/mol:	-162.71
Dipole, Da:	4.34
IP(EA), eV:	-9.05(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid

Drug info:

PubChemData

Smile

CCC1=C2C(=CC(=C1CC(C(=O)O)N)Cl)OCCO2

DOS

IR

Vibrations