Geometry & MOs

Info

ID:	333450
PubChem CID:	127252002
Reduced:	ON5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	374.185509
ΔH_f, kcal/mol:	38.86
Dipole, Da:	4.31
IP(EA), eV:	-8.88(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyridin-3-yl-1-[2-[6-(pyrimidin-2-ylamino)pyridin-3-yl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NC2=NC=C(C=C2)C3CCCCN3C(=O)CC4=CN=CC=C4

DOS

IR

Vibrations