Geometry & MOs

Info

ID:	321348
PubChem CID:	126665847
Reduced:	O2F3N5C28H28 (1)
Stoich.:	A2B3C5D28E28 (1)
Weight, g/mol:	463.115519
ΔH_f, kcal/mol:	-127.66
Dipole, Da:	8.79
IP(EA), eV:	-9.12(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)NCCCO

DOS

IR

Vibrations