Geometry & MOs

Info

ID:	293990
PubChem CID:	117421349
Reduced:	NO5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	267.110673
ΔH_f, kcal/mol:	-176.46
Dipole, Da:	4.47
IP(EA), eV:	-8.79(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]butanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(C(=O)O)N)OC2CCOC2

DOS

IR

Vibrations