Geometry & MOs

Info

ID:	213643
PubChem CID:	81064477
Reduced:	N2O5C13H16 (1)
Stoich.:	A2B5C13D16 (1)
Weight, g/mol:	279.110673
ΔH_f, kcal/mol:	-129.81
Dipole, Da:	4.78
IP(EA), eV:	-10.06(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations