Geometry & MOs

Info

ID:	367896
PubChem CID:	127326069
Reduced:	ON5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	383.212139
ΔH_f, kcal/mol:	29.95
Dipole, Da:	4.73
IP(EA), eV:	-8.48(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-3-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]piperidin-2-one

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCN(CC2)C3CCCN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations