Geometry & MOs

Info

ID:	168483
PubChem CID:	74974820
Reduced:	BrSN4O4C20H25 (1)
Stoich.:	ABC4D4E20F25 (1)
Weight, g/mol:	506.188938
ΔH_f, kcal/mol:	-66.9
Dipole, Da:	3.44
IP(EA), eV:	-9.0(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyridazin-3-yl]oxy-1-[4-(trifluoromethoxy)phenyl]ethanimine

Drug info:

PubChemData

Smile

CC(=NOC1=NN=C(C=C1)OC2CCN(CC2)C(=O)OC(C)(C)C)C3=CC=C(S3)Br

DOS

IR

Vibrations