Geometry & MOs

Info

ID:	321452
PubChem CID:	126666063
Reduced:	F3N3O4H20C23 (1)
Stoich.:	A3B3C4D20E23 (1)
Weight, g/mol:	366.97232
ΔH_f, kcal/mol:	-187.42
Dipole, Da:	4.26
IP(EA), eV:	-8.51(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2C3=C(C=CC(=C3)OC)OC)[C@H](C)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations