Geometry & MOs

Info

ID:	422345
PubChem CID:	135117671
Reduced:	ClON4C15H25 (1)
Stoich.:	ABC4D15E25 (1)
Weight, g/mol:	342.216809
ΔH_f, kcal/mol:	-31.28
Dipole, Da:	2.72
IP(EA), eV:	-8.64(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)CN2CC[C@]3(CCCN([C@@H]3C2)C)CO)Cl

DOS

IR

Vibrations