Geometry & MOs

Info

ID:	298958
PubChem CID:	117664453
Reduced:	O2C11H13 (2)
Stoich.:	A2B11C13 (2)
Weight, g/mol:	293.140723
ΔH_f, kcal/mol:	-145.64
Dipole, Da:	4.15
IP(EA), eV:	-9.12(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride

Drug info:

PubChemData

Smile

CC(=C)CCC1=C(C=C(C(=C1O)C(=O)OC)CCC2=CC=CC=C2)OC

DOS

IR

Vibrations