Geometry & MOs

Info

ID:	357655
PubChem CID:	127294329
Reduced:	N7C22H29 (1)
Stoich.:	A7B22C29 (1)
Weight, g/mol:	383.204528
ΔH_f, kcal/mol:	107.53
Dipole, Da:	7.32
IP(EA), eV:	-8.74(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)C3=CC(=NC4=NC=NN34)C5=CC=CC=C5

DOS

IR

Vibrations