Geometry & MOs

Info

ID:	379152
PubChem CID:	134354951
Reduced:	ON8C25H34 (1)
Stoich.:	AB8C25D34 (1)
Weight, g/mol:	456.26376
ΔH_f, kcal/mol:	57.09
Dipole, Da:	7.72
IP(EA), eV:	-8.66(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-benzylpiperidin-1-yl)-3-[3,5-dimethyl-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrazol-4-yl]propan-1-one

Drug info:

PubChemData

Smile

C/C(=C(\CCC(=O)N1CCC(CC1)CC2=CC=CC=N2)/C(=NC3=NN(C(=N)C=C3)C(=N)C)C)/N

DOS

IR

Vibrations