Geometry & MOs

Info

ID:	54952
PubChem CID:	17389585
Reduced:	NOC10H15 (1)
Stoich.:	ABC10D15 (1)
Weight, g/mol:	388.098746
ΔH_f, kcal/mol:	-29.42
Dipole, Da:	2.02
IP(EA), eV:	-8.78(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[7-(5-amino-1,3,4-thiadiazol-2-yl)heptyl]-1,3,4-thiadiazol-2-amine;oxalic acid

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2CCCCN2

DOS

IR

Vibrations