Geometry & MOs

Info

ID:	261140
PubChem CID:	103219441
Reduced:	ClIN3O3H11C13 (1)
Stoich.:	ABC3D3E11F13 (1)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	-60.45
Dipole, Da:	3.54
IP(EA), eV:	-9.9(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1H-inden-5-ylmethyl)-5-(propan-2-ylamino)pyridazin-3-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)N[C@H](CC2=CN=CN2)C(=O)O)Cl)I

DOS

IR

Vibrations