Geometry & MOs

Info

ID:	156555
PubChem CID:	56371114
Reduced:	ON4C23H40 (1)
Stoich.:	AB4C23D40 (1)
Weight, g/mol:	443.98917
ΔH_f, kcal/mol:	-70.45
Dipole, Da:	3.42
IP(EA), eV:	-8.58(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(C)C)C)CCC(=O)NC2CCN(C2)C3CCCCCC3

DOS

IR

Vibrations