Geometry & MOs

Info

ID:	157094
PubChem CID:	56422119
Reduced:	O3N4C24H24 (1)
Stoich.:	A3B4C24D24 (1)
Weight, g/mol:	423.22704
ΔH_f, kcal/mol:	-32.73
Dipole, Da:	11.22
IP(EA), eV:	-8.61(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC(=O)C3=NN=C(C=C3)N4CCCC4

DOS

IR

Vibrations