Geometry & MOs

Info

ID:	370176
PubChem CID:	127337631
Reduced:	O3N5C15H25 (1)
Stoich.:	A3B5C15D25 (1)
Weight, g/mol:	331.175673
ΔH_f, kcal/mol:	-69.42
Dipole, Da:	3.44
IP(EA), eV:	-8.89(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-pyridazin-3-ylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CNC(=O)N2CCN(CC2)CC3CCOCC3

DOS

IR

Vibrations