Geometry & MOs

Info

ID:	272613
PubChem CID:	103750032
Reduced:	BrON3C9H12 (1)
Stoich.:	ABC3D9E12 (1)
Weight, g/mol:	232.96223
ΔH_f, kcal/mol:	8.93
Dipole, Da:	3.58
IP(EA), eV:	-8.9(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-but-3-en-2-yl-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CC(C=C)NC1=NC=C(C(=N1)OC)Br

DOS

IR

Vibrations