Geometry & MOs

Info

ID:	156643
PubChem CID:	56371488
Reduced:	O2N3C20H31 (1)
Stoich.:	A2B3C20D31 (1)
Weight, g/mol:	411.274659
ΔH_f, kcal/mol:	-93.67
Dipole, Da:	3.06
IP(EA), eV:	-8.77(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cycloheptylpyrrolidin-3-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=NC=C(C=C1)C(=O)NC2CCN(C2)C3CCCCCC3

DOS

IR

Vibrations