Geometry & MOs

Info

ID:	82780
PubChem CID:	49856511
Reduced:	O2N6C25H30 (1)
Stoich.:	A2B6C25D30 (1)
Weight, g/mol:	355.237211
ΔH_f, kcal/mol:	-14.77
Dipole, Da:	3.77
IP(EA), eV:	-8.42(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)C4CCN(C4=O)CC5=CC=CC=C5

DOS

IR

Vibrations