Geometry & MOs

Info

ID:	392279
PubChem CID:	135014105
Reduced:	O2C13H21 (2)
Stoich.:	A2B13C21 (2)
Weight, g/mol:	437.188546
ΔH_f, kcal/mol:	-165.14
Dipole, Da:	5.82
IP(EA), eV:	-9.29(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-methyl-1-[(5-phenyl-1,2,4-triazin-3-yl)-prop-2-enylamino]butyl]-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC[C@@H]1CC(C[C@]2(O1)CCC3(O2)C=CC(=O)C=C3)O

DOS

IR

Vibrations