Geometry & MOs

Info

ID:	213463
PubChem CID:	81063824
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	293.126323
ΔH_f, kcal/mol:	-137.59
Dipole, Da:	3.55
IP(EA), eV:	-9.49(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CCC1=CC=CC=C1

DOS

IR

Vibrations