Geometry & MOs

Info

ID:	289272
PubChem CID:	104343001
Reduced:	O3N4C13H22 (1)
Stoich.:	A3B4C13D22 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-110.07
Dipole, Da:	2.89
IP(EA), eV:	-8.99(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=CC(=NC(=N1)COC)NCC2(CCOCC2)O

DOS

IR

Vibrations