Geometry & MOs

Info

ID:	361421
PubChem CID:	127303335
Reduced:	ON5C20H31 (1)
Stoich.:	AB5C20D31 (1)
Weight, g/mol:	375.172896
ΔH_f, kcal/mol:	-39.46
Dipole, Da:	4.28
IP(EA), eV:	-8.8(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-propyl-2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1CCCN(C1)C2=CC(=NC=N2)N3CCCC(C3)C(=O)N4CCCC4

DOS

IR

Vibrations