Geometry & MOs

Info

ID:	47036
PubChem CID:	10529074
Reduced:	ClFO2N3C27H37 (1)
Stoich.:	ABC2D3E27F37 (1)
Weight, g/mol:	490.146116
ΔH_f, kcal/mol:	-85.51
Dipole, Da:	2.42
IP(EA), eV:	-8.72(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)CCO/N=C(\CCCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)/C3=CC=C(C=C3)F

DOS

IR

Vibrations