Geometry & MOs

Info

ID:	345425
PubChem CID:	127269725
Reduced:	SO3N4C16H24 (1)
Stoich.:	AB3C4D16E24 (1)
Weight, g/mol:	386.27941
ΔH_f, kcal/mol:	-106.13
Dipole, Da:	2.99
IP(EA), eV:	-8.8(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyridazin-3-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)NC(=O)NCC(C2=CC=CS2)N3CCOCC3

DOS

IR

Vibrations