Geometry & MOs

Info

ID:	157188
PubChem CID:	56422372
Reduced:	F3O3N4C19H19 (1)
Stoich.:	A3B3C4D19E19 (1)
Weight, g/mol:	414.263091
ΔH_f, kcal/mol:	-223.01
Dipole, Da:	13.08
IP(EA), eV:	-9.13(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(dicyclohexylamino)-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)OC(=O)C2=NN=C(C=C2)N3CCCC3

DOS

IR

Vibrations