Geometry & MOs

Info

ID:	157088
PubChem CID:	56422110
Reduced:	O3N4H22C23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	462.19032
ΔH_f, kcal/mol:	-24.36
Dipole, Da:	9.98
IP(EA), eV:	-8.72(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(4-methoxycarbonylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C=C2)C(=O)OCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations