Geometry & MOs

Info

ID:	370147
PubChem CID:	127337520
Reduced:	ClON5C20H24 (1)
Stoich.:	ABC5D20E24 (1)
Weight, g/mol:	391.157516
ΔH_f, kcal/mol:	-2.04
Dipole, Da:	4.37
IP(EA), eV:	-8.53(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)NC3CCC4=C3C=CC(=C4)Cl

DOS

IR

Vibrations