Geometry & MOs

Info

ID:	321465
PubChem CID:	126666093
Reduced:	O2F3N3H12C15 (1)
Stoich.:	A2B3C3D12E15 (1)
Weight, g/mol:	445.124941
ΔH_f, kcal/mol:	-139.02
Dipole, Da:	2.19
IP(EA), eV:	-9.65(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2,4-dimethoxyphenyl)-3-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]-[1,2]oxazolo[4,5-d]pyridazin-4-one

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2C)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations