Geometry & MOs

Info

ID:	288697
PubChem CID:	104324020
Reduced:	ON4C15H24 (1)
Stoich.:	AB4C15D24 (1)
Weight, g/mol:	274.179361
ΔH_f, kcal/mol:	-47.73
Dipole, Da:	4.7
IP(EA), eV:	-8.72(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CC(=N1)N2CC3CCC(C3C2)O)N

DOS

IR

Vibrations