Geometry & MOs

Info

ID:	321448
PubChem CID:	126666057
Reduced:	ClFO2N3H13C19 (1)
Stoich.:	ABC2D3E13F19 (1)
Weight, g/mol:	366.97232
ΔH_f, kcal/mol:	-0.21
Dipole, Da:	2.02
IP(EA), eV:	-9.45(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-5-[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=CC(=CC=C3)F)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations