Geometry & MOs

Info

ID:	321438
PubChem CID:	126666039
Reduced:	FNO5C15H16 (1)
Stoich.:	ABC5D15E16 (1)
Weight, g/mol:	466.140783
ΔH_f, kcal/mol:	-240.53
Dipole, Da:	7.84
IP(EA), eV:	-9.72(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[1-(4-chlorophenyl)ethyl]-3-methyl-4-oxo-[1,2]oxazolo[4,5-d]pyridazin-7-yl]-N-ethyl-4-methoxybenzamide

Drug info:

PubChemData

Smile

C/C(=C(\C(=O)C(C1=CC=C(C=C1)F)OC(=O)C)/C(=O)O)/NC

DOS

IR

Vibrations