Geometry & MOs

Info

ID:	333452
PubChem CID:	127252004
Reduced:	ON6C21H22 (1)
Stoich.:	AB6C21D22 (1)
Weight, g/mol:	368.23246
ΔH_f, kcal/mol:	63.2
Dipole, Da:	6.78
IP(EA), eV:	-8.66(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyridin-3-yl]piperidin-1-yl]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CN=C(C=C2)NC3=NC=CN=C3)C(=O)CC4=CN=CC=C4

DOS

IR

Vibrations