Geometry & MOs

Info

ID:	321426
PubChem CID:	126666022
Reduced:	N4O6H12C15 (1)
Stoich.:	A4B6C12D15 (1)
Weight, g/mol:	273.091355
ΔH_f, kcal/mol:	-57.8
Dipole, Da:	3.75
IP(EA), eV:	-10.4(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-fluorophenyl)methyl]-3,7-dimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2CC3=CC=C(C=C3)[N+](=O)[O-])CC(=O)O

DOS

IR

Vibrations