Geometry & MOs

Info

ID:	294120
PubChem CID:	117427305
Reduced:	ClNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	269.081871
ΔH_f, kcal/mol:	-77.66
Dipole, Da:	3.33
IP(EA), eV:	-8.65(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)butanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1C3(CC3)CN)OCCO2)Cl

DOS

IR

Vibrations