Geometry & MOs

Info

ID:	288696
PubChem CID:	104324017
Reduced:	BrON4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	276.195011
ΔH_f, kcal/mol:	-29.75
Dipole, Da:	4.84
IP(EA), eV:	-8.71(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-amino-2-tert-butylpyrimidin-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)Br

DOS

IR

Vibrations