Geometry & MOs

Info

ID:	370017
PubChem CID:	127337232
Reduced:	ON4C20H32 (1)
Stoich.:	AB4C20D32 (1)
Weight, g/mol:	357.252861
ΔH_f, kcal/mol:	-43.99
Dipole, Da:	6.54
IP(EA), eV:	-8.82(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NC(C)C3CC4CCC3C4

DOS

IR

Vibrations