Geometry & MOs

Info

ID:	323161
PubChem CID:	126673128
Reduced:	SO3N5C27H33 (1)
Stoich.:	AB3C5D27E33 (1)
Weight, g/mol:	317.116427
ΔH_f, kcal/mol:	-53.59
Dipole, Da:	8.17
IP(EA), eV:	-8.82(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN=C(O1)CCC2=CN=C(S2)N[C@@H]3CCCN(C3)C(=O)C4=CC=C(C=C4)NC(=O)C=C

DOS

IR

Vibrations