Geometry & MOs

Info

ID:	365267
PubChem CID:	127317612
Reduced:	O2F3N4C19H21 (1)
Stoich.:	A2B3C4D19E21 (1)
Weight, g/mol:	359.268511
ΔH_f, kcal/mol:	-155.75
Dipole, Da:	4.55
IP(EA), eV:	-8.51(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)C3=NN(C=C3O)C4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations