Geometry & MOs

Info

ID:	294416
PubChem CID:	117460095
Reduced:	ClNO5C12H12 (1)
Stoich.:	ABC5D12E12 (1)
Weight, g/mol:	285.076786
ΔH_f, kcal/mol:	-173.53
Dipole, Da:	4.32
IP(EA), eV:	-9.32(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(7-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid

Drug info:

PubChemData

Smile

C1COC2=C(O1)C(=CC(=C2C=O)Cl)C(CC(=O)O)N

DOS

IR

Vibrations