Geometry & MOs

Info

ID:	333446
PubChem CID:	127251998
Reduced:	ON5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	360.169859
ΔH_f, kcal/mol:	47.61
Dipole, Da:	4.56
IP(EA), eV:	-8.8(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations