Geometry & MOs

Info

ID:	47037
PubChem CID:	10529078
Reduced:	ClNOC4H9 (4)
Stoich.:	ABCD4E9 (4)
Weight, g/mol:	344.242356
ΔH_f, kcal/mol:	-336.47
Dipole, Da:	10.52
IP(EA), eV:	-10.0(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-carboxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanoic acid

Drug info:

PubChemData

Smile

C1C[NH2+]CC[NH2+]CCC[NH+](CC[NH+](C1)CCC(=O)O)CCC(=O)O.[Cl-].[Cl-].[Cl-].[Cl-]

DOS

IR

Vibrations