Geometry & MOs

Info

ID:	321449
PubChem CID:	126666058
Reduced:	BrClO2N3H11C14 (1)
Stoich.:	ABC2D3E11F14 (1)
Weight, g/mol:	395.103669
ΔH_f, kcal/mol:	13.88
Dipole, Da:	2.36
IP(EA), eV:	-9.64(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2Br)C(C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations