Geometry & MOs

Info

ID:	321480
PubChem CID:	126666121
Reduced:	FNOH10C13 (1)
Stoich.:	ABCD10E13 (1)
Weight, g/mol:	470.156575
ΔH_f, kcal/mol:	-26.63
Dipole, Da:	3.24
IP(EA), eV:	-8.91(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-3-[3-methyl-4-oxo-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-[1,2]oxazolo[4,5-d]pyridazin-7-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=O)C2=C(C(=CC=C2)N)F

DOS

IR

Vibrations