Geometry & MOs

Info

ID:	370022
PubChem CID:	127337237
Reduced:	OCl2N4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	345.252861
ΔH_f, kcal/mol:	-25.81
Dipole, Da:	6.03
IP(EA), eV:	-8.84(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dimethylcyclohexyl)-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NCC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations