Geometry & MOs

Info

ID:	274092
PubChem CID:	103806983
Reduced:	ClION2H14C16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	270.111676
ΔH_f, kcal/mol:	15.25
Dipole, Da:	3.95
IP(EA), eV:	-8.67(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1CNCC2=C1C=CC(=C2)NC(=O)C3=C(C=CC(=C3)Cl)I

DOS

IR

Vibrations