Geometry & MOs

Info

ID:	288704
PubChem CID:	104324077
Reduced:	O2N5C13H21 (1)
Stoich.:	A2B5C13D21 (1)
Weight, g/mol:	293.185175
ΔH_f, kcal/mol:	-64.27
Dipole, Da:	0.5
IP(EA), eV:	-9.05(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=NC(=NC(=N1)N2CC3CCC(C3C2)O)N

DOS

IR

Vibrations