Geometry & MOs

Info

ID:	333458
PubChem CID:	127252010
Reduced:	N6C25H26 (1)
Stoich.:	A6B25C26 (1)
Weight, g/mol:	376.164774
ΔH_f, kcal/mol:	116.62
Dipole, Da:	2.74
IP(EA), eV:	-8.64(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[6-(pyrimidin-2-ylamino)pyridin-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NC2=NC=C(C=C2)C3CCCCN3CC4=CC5=NC=CN=C5C=C4

DOS

IR

Vibrations