Geometry & MOs

Info

ID:	423381
PubChem CID:	135119400
Reduced:	N2O4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	314.185509
ΔH_f, kcal/mol:	-164.73
Dipole, Da:	3.6
IP(EA), eV:	-8.85(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CN=C(C=C1)N2CCC3(CC2)[C@H]([C@](CCO3)(C)O)O

DOS

IR

Vibrations