Geometry & MOs

Info

ID:	157335
PubChem CID:	56422895
Reduced:	F2N4O4C25H26 (1)
Stoich.:	A2B4C4D25E26 (1)
Weight, g/mol:	485.206304
ΔH_f, kcal/mol:	-183.93
Dipole, Da:	1.43
IP(EA), eV:	-8.68(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)OC(F)F)C)C(=O)C(C)OC(=O)C3=NN=C(C=C3)N4CCCC4

DOS

IR

Vibrations