Geometry & MOs

Info

ID:	321422
PubChem CID:	126665991
Reduced:	F3N4O4C18H19 (1)
Stoich.:	A3B4C4D18E19 (1)
Weight, g/mol:	490.126418
ΔH_f, kcal/mol:	-272.13
Dipole, Da:	1.37
IP(EA), eV:	-9.97(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/N=C(\CC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)O)/N

DOS

IR

Vibrations