Geometry & MOs

Info

ID:	192316
PubChem CID:	78256324
Reduced:	NO6C28H39 (1)
Stoich.:	AB6C28D39 (1)
Weight, g/mol:	369.058172
ΔH_f, kcal/mol:	-236.05
Dipole, Da:	2.99
IP(EA), eV:	-8.13(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(2,4-dichlorophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-2-methylbutan-1-amine

Drug info:

PubChemData

Smile

CC(C)COC1=C(C=C(C=C1)C2C3=C(C(=O)N2CCCOC(C)C)OC4CCCCC4C3=O)OC

DOS

IR

Vibrations