Geometry & MOs

Info

ID:	333447
PubChem CID:	127251999
Reduced:	ON6C20H20 (1)
Stoich.:	AB6C20D20 (1)
Weight, g/mol:	365.221561
ΔH_f, kcal/mol:	66.85
Dipole, Da:	5.05
IP(EA), eV:	-9.02(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CN=C(C=C2)NC3=NC=CC=N3)C(=O)C4=CN=CC=C4

DOS

IR

Vibrations