Geometry & MOs

Info

ID:	156466
PubChem CID:	56370736
Reduced:	BrO2N3C20H30 (1)
Stoich.:	AB2C3D20E30 (1)
Weight, g/mol:	421.120861
ΔH_f, kcal/mol:	-74.58
Dipole, Da:	3.48
IP(EA), eV:	-8.4(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCNC(=O)C2(CCOCC2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations