Geometry & MOs

Info

ID:	288701
PubChem CID:	104324035
Reduced:	FON4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-72.39
Dipole, Da:	1.68
IP(EA), eV:	-8.54(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(ethylamino)-2-propylpyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

Drug info:

PubChemData

Smile

CCCNC1=NC=C(C(=N1)N2CC3CCC(C3C2)O)F

DOS

IR

Vibrations