Geometry & MOs

Info

ID:	280109
PubChem CID:	103846936
Reduced:	ClINO3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	229.131408
ΔH_f, kcal/mol:	-108.04
Dipole, Da:	5.59
IP(EA), eV:	-9.48(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(oxan-4-yl)ethylamino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)I)NC(=O)CCC(=O)O

DOS

IR

Vibrations