Geometry & MOs

Info

ID:	307476
PubChem CID:	125307117
Reduced:	ClOSN4H13C17 (1)
Stoich.:	ABCD4E13F17 (1)
Weight, g/mol:	243.064391
ΔH_f, kcal/mol:	67.43
Dipole, Da:	5.2
IP(EA), eV:	-9.36(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyphenyl)-3H-[1,2]oxazolo[3,4-d]pyridazin-7-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C=C(C=C[C@@H]3NC(=O)[C@H]2SC4=NC=NN4)Cl

DOS

IR

Vibrations