Geometry & MOs

Info

ID:	313976
PubChem CID:	126619305
Reduced:	NC11H17 (1)
Stoich.:	AB11C17 (1)
Weight, g/mol:	692.307803
ΔH_f, kcal/mol:	28.7
Dipole, Da:	1.58
IP(EA), eV:	-8.94(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-(3-chlorophenyl)pyrimidin-2-amine;4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CNC.C=CCC1=CC=CC=C1

DOS

IR

Vibrations