Geometry & MOs

Info

ID:	321442
PubChem CID:	126666047
Reduced:	BrClNO2H7C8 (1)
Stoich.:	ABCD2E7F8 (1)
Weight, g/mol:	381.088019
ΔH_f, kcal/mol:	-69.81
Dipole, Da:	2.16
IP(EA), eV:	-9.4(-2.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)N(C1=CC=C(C=C1)Cl)Br

DOS

IR

Vibrations