Geometry & MOs

Info

ID:	370155
PubChem CID:	127337531
Reduced:	SO3N5C17H29 (1)
Stoich.:	AB3C5D17E29 (1)
Weight, g/mol:	345.252861
ΔH_f, kcal/mol:	-121.27
Dipole, Da:	8.79
IP(EA), eV:	-8.88(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methylcyclohexyl)methyl]-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NC3CCCN(C3)S(=O)(=O)C

DOS

IR

Vibrations