Geometry & MOs

Info

ID:	370151
PubChem CID:	127337524
Reduced:	ON5C21H37 (1)
Stoich.:	AB5C21D37 (1)
Weight, g/mol:	388.29506
ΔH_f, kcal/mol:	-64.71
Dipole, Da:	5.09
IP(EA), eV:	-8.77(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NC(C)CN3CC(CC(C3)C)C

DOS

IR

Vibrations