Geometry & MOs

Info

ID:	125267
PubChem CID:	50917782
Reduced:	BrClON3C20H21 (1)
Stoich.:	ABCD3E20F21 (1)
Weight, g/mol:	390.145868
ΔH_f, kcal/mol:	-12.92
Dipole, Da:	6.14
IP(EA), eV:	-8.96(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoethyl]-methylamino]-2-methylpyridazin-3-one

Drug info:

PubChemData

Smile

CN1C2CCC1[C@H]([C@H](C2)C3=CC=C(C=C3)Cl)C(=O)NC4=C(N=CC=C4)Br

DOS

IR

Vibrations