Geometry & MOs

Info

ID:	28681
PubChem CID:	828921
Reduced:	N2O2C17H28 (1)
Stoich.:	A2B2C17D28 (1)
Weight, g/mol:	342.078662
ΔH_f, kcal/mol:	-83.97
Dipole, Da:	2.44
IP(EA), eV:	-8.5(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,3-benzodioxol-5-ylmethylidene)-5-imino-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C[C@H](COC2=C(C=CC=C2C)C)O

DOS

IR

Vibrations