Geometry & MOs

Info

ID:	370258
PubChem CID:	127337925
Reduced:	ON5C18H29 (1)
Stoich.:	AB5C18D29 (1)
Weight, g/mol:	371.212139
ΔH_f, kcal/mol:	-29.85
Dipole, Da:	6.18
IP(EA), eV:	-8.66(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CCN(C1CCCC1)C(=O)NC2CCCN(C2)C3=NN=C(C=C3)C

DOS

IR

Vibrations