Geometry & MOs

Info

ID:	157185
PubChem CID:	56422368
Reduced:	FO4N5C23H26 (1)
Stoich.:	AB4C5D23E26 (1)
Weight, g/mol:	474.03612
ΔH_f, kcal/mol:	-127.44
Dipole, Da:	6.18
IP(EA), eV:	-8.76(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC(=O)C3=NN=C(C=C3)N4CCCC4)F

DOS

IR

Vibrations