Geometry & MOs

Info

ID:	439405
PubChem CID:	135229179
Reduced:	O3N5C19H29 (1)
Stoich.:	A3B5C19D29 (1)
Weight, g/mol:	414.108579
ΔH_f, kcal/mol:	-69.29
Dipole, Da:	4.36
IP(EA), eV:	-8.37(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-cyclopropyl-5-ethylsulfonyl-1-methylimidazol-4-yl)-7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine

Drug info:

PubChemData

Smile

CCCC(CCC)NC1=NC(=NC=C1OCC2=NC=CC(=C2OC)OC)N

DOS

IR

Vibrations