Geometry & MOs

Info

ID:	321439
PubChem CID:	126666040
Reduced:	ClN4O4H23C24 (1)
Stoich.:	AB4C4D23E24 (1)
Weight, g/mol:	445.124941
ΔH_f, kcal/mol:	-47.32
Dipole, Da:	4.94
IP(EA), eV:	-9.2(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=C(C=C1)OC)C2=NN(C(=O)C3=C2ON=C3C)C(C)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations