Geometry & MOs

Info

ID:	325525
PubChem CID:	126683776
Reduced:	NO3C33H35 (1)
Stoich.:	AB3C33D35 (1)
Weight, g/mol:	335.118238
ΔH_f, kcal/mol:	-67.51
Dipole, Da:	4.25
IP(EA), eV:	-8.84(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(azetidine-1-carbonyl)imidazo[1,2-b]pyridazin-3-yl]-2-fluoro-5-methylbenzonitrile

Drug info:

PubChemData

Smile

CCC(C)(C1=CC=C(C=C1)[C@@H]2C[C@@H](OC3=CC=CC=C23)CN[C@H](C)C4=CC=CC5=CC=CC=C54)C(=O)O

DOS

IR

Vibrations