Geometry & MOs

Info

ID:	261627
PubChem CID:	103242524
Reduced:	ClNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	229.131408
ΔH_f, kcal/mol:	-52.09
Dipole, Da:	4.75
IP(EA), eV:	-9.44(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(oxolan-3-ylmethylamino)methyl]oxolane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)Cl)NCC2=CC=CC=C2C(=O)O

DOS

IR

Vibrations