Geometry & MOs

Info

ID:	175768
PubChem CID:	75944917
Reduced:	FN3O3H16C20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	434.15902
ΔH_f, kcal/mol:	-32.28
Dipole, Da:	7.08
IP(EA), eV:	-9.23(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-hydroxy-3-(3-methyl-7-oxo-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propoxy]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C2C(=NN(C(=O)C2=NO1)CC(C3=CC=C(C=C3)F)O)C4=CC=CC=C4

DOS

IR

Vibrations