Geometry & MOs

Info

ID:	321363
PubChem CID:	126665885
Reduced:	ClN4O4H23C25 (1)
Stoich.:	AB4C4D23E25 (1)
Weight, g/mol:	486.15149
ΔH_f, kcal/mol:	-24.24
Dipole, Da:	0.59
IP(EA), eV:	-8.53(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methoxy-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

CC(C1=CC=C(C=C1)Cl)N2C(=O)C3=C(C(=N2)C4=C(C=CC(=C4)NC(=O)C)OC)ON=C3C5CC5

DOS

IR

Vibrations