Geometry & MOs

Info

ID:	321368
PubChem CID:	126665897
Reduced:	F3O4N5H34C37 (1)
Stoich.:	A3B4C5D34E37 (1)
Weight, g/mol:	416.08516
ΔH_f, kcal/mol:	-166.15
Dipole, Da:	4.06
IP(EA), eV:	-8.9(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-amino-3,5-difluorophenyl)-5-[1-(4-chlorophenyl)ethyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one

Drug info:

PubChemData

Smile

C1CC1C(C2=CC(=CC=C2)OCC3=CC=CC=C3)NCC4=CC(=CC=C4)NC(=O)C5=CC(=NN5C6=CC=CC(=C6)CNC(=O)O)C(F)(F)F

DOS

IR

Vibrations