Geometry & MOs

Info

ID:	321466
PubChem CID:	126666094
Reduced:	F3N3O4H18C22 (1)
Stoich.:	A3B3C4D18E22 (1)
Weight, g/mol:	442.125275
ΔH_f, kcal/mol:	-187.61
Dipole, Da:	7.53
IP(EA), eV:	-9.01(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2C3=C(C=C(C=C3)OC)OC)CC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations