Geometry & MOs

Info

ID:	361522
PubChem CID:	127303712
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	315.180758
ΔH_f, kcal/mol:	-8.43
Dipole, Da:	4.66
IP(EA), eV:	-8.75(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-3-(triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CN(C1CCN(CC1)C(=O)C2=CC=CC(=C2)CN3CCOCC3)C4=NN=CC=C4

DOS

IR

Vibrations