Geometry & MOs

Info

ID:	312742
PubChem CID:	126607691
Reduced:	OC16H28 (1)
Stoich.:	AB16C28 (1)
Weight, g/mol:	485.24517
ΔH_f, kcal/mol:	-71.54
Dipole, Da:	3.18
IP(EA), eV:	-9.28(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine

Drug info:

PubChemData

Smile

CC/C=C(\C=C/CC(=O)C(C)(C)C)/C(C)(C)C

DOS

IR

Vibrations