Geometry & MOs

Info

ID:	321339
PubChem CID:	126665833
Reduced:	O3F4N4H20C24 (1)
Stoich.:	A3B4C4D20E24 (1)
Weight, g/mol:	400.99867
ΔH_f, kcal/mol:	-209.45
Dipole, Da:	5.78
IP(EA), eV:	-9.14(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1NC(=O)C)F)C2=NN(C(=O)C3=C2ON=C3C)[C@H](C)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations