Geometry & MOs

Info

ID:	325660
PubChem CID:	126684391
Reduced:	ClO2N10C36H49 (1)
Stoich.:	AB2C10D36E49 (1)
Weight, g/mol:	332.184841
ΔH_f, kcal/mol:	-14.37
Dipole, Da:	7.09
IP(EA), eV:	-8.58(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CN(C)CCCC1=CC=C(C=C1)NC(=O)C(CC2=C3CCCCC3=C(C=C2)CCCCN=C(N)NC(=O)C4=C(N=C(C(=N4)Cl)N)N)(C=C)N

DOS

IR

Vibrations