Geometry & MOs

Info

ID:	370018
PubChem CID:	127337233
Reduced:	ON5C20H31 (1)
Stoich.:	AB5C20D31 (1)
Weight, g/mol:	369.227709
ΔH_f, kcal/mol:	-6.24
Dipole, Da:	5.05
IP(EA), eV:	-8.5(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1CC2CCC1C2)NC(=O)N(C)C3CCCN(C3)C4=NN=CC=C4

DOS

IR

Vibrations