Geometry & MOs

Info

ID:	82861
PubChem CID:	49856702
Reduced:	ON6C17H22 (1)
Stoich.:	AB6C17D22 (1)
Weight, g/mol:	335.210996
ΔH_f, kcal/mol:	30.55
Dipole, Da:	5.47
IP(EA), eV:	-8.6(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)C(C)C#N

DOS

IR

Vibrations