Geometry & MOs

Info

ID:	369991
PubChem CID:	127337071
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	391.145596
ΔH_f, kcal/mol:	-120.33
Dipole, Da:	7.76
IP(EA), eV:	-8.13(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C1C=CC(=C2)NC(=O)N3CCN(CC3)CC4CCOCC4

DOS

IR

Vibrations