Geometry & MOs

Info

ID:	321362
PubChem CID:	126665883
Reduced:	O2F3N7H20C25 (1)
Stoich.:	A2B3C7D20E25 (1)
Weight, g/mol:	478.140783
ΔH_f, kcal/mol:	-55.93
Dipole, Da:	2.35
IP(EA), eV:	-9.47(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(C=NN1)(C2=C3C=CNC3=NC=N2)C(CC#N)C4=CN=CC(=C4)C5=CC=CC=C5.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations