Geometry & MOs

Info

ID:	321468
PubChem CID:	126666098
Reduced:	ClN3O4H22C23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	357.033876
ΔH_f, kcal/mol:	-38.19
Dipole, Da:	1.78
IP(EA), eV:	-8.43(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-chlorophenyl)methyl]-3-methyl-7-thiophen-2-yl-[1,2]oxazolo[4,5-d]pyridazin-4-one

Drug info:

PubChemData

Smile

CC(C)C1=NOC2=C1C(=O)N(N=C2C3=C(C=CC(=C3)OC)OC)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations