Geometry & MOs

Info

ID:	367898
PubChem CID:	127326071
Reduced:	ON5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	351.20591
ΔH_f, kcal/mol:	17.76
Dipole, Da:	5.66
IP(EA), eV:	-8.53(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-3-[4-(pyridazin-3-ylamino)piperidin-1-yl]piperidin-2-one

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC3CCCN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations