Geometry & MOs

Info

ID:	157336
PubChem CID:	56422896
Reduced:	O4N5C27H27 (1)
Stoich.:	A4B5C27D27 (1)
Weight, g/mol:	430.164105
ΔH_f, kcal/mol:	-28.17
Dipole, Da:	7.19
IP(EA), eV:	-8.74(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-benzamidophenyl)-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)C3=NN=C(C=C3)N4CCCC4)C5=CC=CC=C5

DOS

IR

Vibrations