Geometry & MOs

Info

ID:	375606
PubChem CID:	134214095
Reduced:	ON6C20H28 (1)
Stoich.:	AB6C20D28 (1)
Weight, g/mol:	376.218701
ΔH_f, kcal/mol:	2.44
Dipole, Da:	7.58
IP(EA), eV:	-8.53(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[6-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]pyridin-3-yl]-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=NC=NC(=C1)C2=CN=C(C=C2)N(C)C3CCN(CC3)C(=O)C

DOS

IR

Vibrations