Geometry & MOs

Info

ID:	321478
PubChem CID:	126666118
Reduced:	N3O3C7H7 (1)
Stoich.:	A3B3C7D7 (1)
Weight, g/mol:	414.97232
ΔH_f, kcal/mol:	-22.13
Dipole, Da:	1.29
IP(EA), eV:	-10.1(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1=NOC2=C1C(=O)NN=C2

DOS

IR

Vibrations