Geometry & MOs

Info

ID:	325513
PubChem CID:	126683718
Reduced:	O4N5C10H17 (1)
Stoich.:	A4B5C10D17 (1)
Weight, g/mol:	492.157974
ΔH_f, kcal/mol:	-98.55
Dipole, Da:	7.26
IP(EA), eV:	-9.88(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]morpholine

Drug info:

PubChemData

Smile

CCOC(=O)/C(=N\NC(=O)OC(C)(C)C)/CN=[N+]=[N-]

DOS

IR

Vibrations