Geometry & MOs

Info

ID:	185610
PubChem CID:	77320059
Reduced:	INO3H16C17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	465.122212
ΔH_f, kcal/mol:	-51.6
Dipole, Da:	4.84
IP(EA), eV:	-9.16(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(5-carbamimidoyl-1-benzofuran-2-yl)-4-pyrrolidin-3-yloxyphenyl]propanoic acid;dihydrochloride

Drug info:

PubChemData

Smile

CNCC1C(C2=C(C=CC(=C2)I)OC3=CC=CC=C13)C(=O)O

DOS

IR

Vibrations