Geometry & MOs

Info

ID:	288677
PubChem CID:	104323371
Reduced:	Cl2N2O2C15H18 (1)
Stoich.:	A2B2C2D15E18 (1)
Weight, g/mol:	306.115047
ΔH_f, kcal/mol:	-96.02
Dipole, Da:	5.68
IP(EA), eV:	-9.04(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)CC(=O)NC3=C(C=CC(=C3)Cl)Cl)O

DOS

IR

Vibrations