Geometry & MOs

Info

ID:	121521
PubChem CID:	50771935
Reduced:	O2S2N5C16H17 (1)
Stoich.:	A2B2C5D16E17 (1)
Weight, g/mol:	483.368559
ΔH_f, kcal/mol:	21.42
Dipole, Da:	6.37
IP(EA), eV:	-8.88(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CSC2=NNC(=O)C3=CC(=NN32)C4=CC=CS4

DOS

IR

Vibrations