Geometry & MOs

Info

ID:	370219
PubChem CID:	127337772
Reduced:	N4O4C17H28 (1)
Stoich.:	A4B4C17D28 (1)
Weight, g/mol:	329.196408
ΔH_f, kcal/mol:	-187.99
Dipole, Da:	6.03
IP(EA), eV:	-8.76(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(2-pyrazol-1-ylethyl)-1-(1-pyridazin-3-ylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

C1COCCC1CN2CCN(CC2)C(=O)NCCN3C(=O)CCC3=O

DOS

IR

Vibrations