Geometry & MOs

Info

ID:	370064
PubChem CID:	127337326
Reduced:	SO3N5C17H29 (1)
Stoich.:	AB3C5D17E29 (1)
Weight, g/mol:	396.19436
ΔH_f, kcal/mol:	-127.69
Dipole, Da:	9.05
IP(EA), eV:	-9.07(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1-(1-pyridazin-3-ylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NC3CCN(CC3)S(=O)(=O)C

DOS

IR

Vibrations