Geometry & MOs

Info

ID:	340522
PubChem CID:	127262533
Reduced:	N3O5C13H13 (1)
Stoich.:	A3B5C13D13 (1)
Weight, g/mol:	282.111676
ΔH_f, kcal/mol:	-66.9
Dipole, Da:	4.62
IP(EA), eV:	-9.77(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-aminoquinolin-2-yl)ethyl 1H-pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)[N+](=O)[O-])OC)OC(=O)C2=CNN=C2

DOS

IR

Vibrations