Geometry & MOs

Info

ID:	121510
PubChem CID:	50771829
Reduced:	SO2N5C23H23 (1)
Stoich.:	AB2C5D23E23 (1)
Weight, g/mol:	400.29506
ΔH_f, kcal/mol:	24.74
Dipole, Da:	4.55
IP(EA), eV:	-9.14(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-piperidin-1-ylpropyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NN3C(=C2)C(=O)NN=C3SCC(=O)NC4=C(C=CC=C4C)C

DOS

IR

Vibrations