Geometry & MOs

Info

ID:	321477
PubChem CID:	126666116
Reduced:	ClO3N4H17C21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	181.048741
ΔH_f, kcal/mol:	-4.62
Dipole, Da:	4.98
IP(EA), eV:	-9.02(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methoxymethyl)-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2C3=CC(=CC=C3)NC(=O)C)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations