Geometry & MOs

Info

ID:	321428
PubChem CID:	126666025
Reduced:	F4N5O5C31H35 (1)
Stoich.:	A4B5C5D31E35 (1)
Weight, g/mol:	348.12224
ΔH_f, kcal/mol:	-381.12
Dipole, Da:	4.49
IP(EA), eV:	-9.4(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-methoxyphenyl)-3-methyl-5-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=C(C4=C(CN(CC4)C(=O)OC(C)(C)C)C=C3)F

DOS

IR

Vibrations