Geometry & MOs

Info

ID:	256653
PubChem CID:	103140461
Reduced:	ClN5C10H12 (1)
Stoich.:	AB5C10D12 (1)
Weight, g/mol:	291.085521
ΔH_f, kcal/mol:	87.35
Dipole, Da:	6.14
IP(EA), eV:	-8.83(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(5-nitroisoquinolin-8-yl)amino]ethoxy]acetic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=CC(=NC=C2)Cl)NN

DOS

IR

Vibrations