Geometry & MOs

Info

ID:	217060
PubChem CID:	85087178
Reduced:	O3H16C22 (1)
Stoich.:	A3B16C22 (1)
Weight, g/mol:	328.17467
ΔH_f, kcal/mol:	-42.6
Dipole, Da:	5.03
IP(EA), eV:	-9.1(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(4-aminobutyl)-3,6,10-trioxo-1,4,7-triazecan-2-yl]propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC2C3=C(C(=CC=C3)O)C(=O)C4=C2C=CC=C4O

DOS

IR

Vibrations