Geometry & MOs

Info

ID:	286180
PubChem CID:	104158705
Reduced:	BrO2N3C12H20 (1)
Stoich.:	AB2C3D12E20 (1)
Weight, g/mol:	229.124883
ΔH_f, kcal/mol:	-72.29
Dipole, Da:	7.44
IP(EA), eV:	-8.9(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-(4-propan-2-yloxybutyl)-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CC(C)OCCCCNC1=C(C(=O)N(N=C1)C)Br

DOS

IR

Vibrations