Geometry & MOs

Info

ID:	321461
PubChem CID:	126666085
Reduced:	ClO2N3H14C19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	258.95925
ΔH_f, kcal/mol:	47.49
Dipole, Da:	2.01
IP(EA), eV:	-9.24(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-3-(methoxymethyl)-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2C3=CC=CC=C3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations