Geometry & MOs

Info

ID:	294420
PubChem CID:	117460167
Reduced:	ClNO4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	285.076786
ΔH_f, kcal/mol:	-158.8
Dipole, Da:	4.17
IP(EA), eV:	-8.74(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1C(CCC(=O)O)N)OCCO2)Cl

DOS

IR

Vibrations