Geometry & MOs

Info

ID:	288705
PubChem CID:	104324082
Reduced:	O2N5C14H23 (1)
Stoich.:	A2B5C14D23 (1)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	-63.45
Dipole, Da:	1.95
IP(EA), eV:	-9.0(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=N1)OC)N2CC3CCC(C3C2)O

DOS

IR

Vibrations