Geometry & MOs

Info

ID:	321433
PubChem CID:	126666032
Reduced:	BrClO2N3H11C15 (1)
Stoich.:	ABC2D3E11F15 (1)
Weight, g/mol:	492.156433
ΔH_f, kcal/mol:	42.18
Dipole, Da:	1.7
IP(EA), eV:	-9.64(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(4-chlorophenyl)ethyl]-7-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one

Drug info:

PubChemData

Smile

C1CC1C2=NOC3=C2C(=O)N(N=C3Br)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations