Geometry & MOs

Info

ID:	157339
PubChem CID:	56422900
Reduced:	O3N5H17C18 (1)
Stoich.:	A3B5C17D18 (1)
Weight, g/mol:	479.178039
ΔH_f, kcal/mol:	-19.99
Dipole, Da:	9.37
IP(EA), eV:	-9.03(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C=C2)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

DOS

IR

Vibrations