Geometry & MOs

Info

ID:	369997
PubChem CID:	127337088
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	363.126216
ΔH_f, kcal/mol:	-71.34
Dipole, Da:	3.49
IP(EA), eV:	-8.58(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCC1CN2CCN(CC2)C(=O)NC3=CC4=C(C=C3)C5=CC=CC=C5O4

DOS

IR

Vibrations