Geometry & MOs

Info

ID:	439401
PubChem CID:	135229175
Reduced:	ON4C20H28 (1)
Stoich.:	AB4C20D28 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-3.58
Dipole, Da:	5.44
IP(EA), eV:	-9.09(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[2-[4-(1-hydroxypentan-2-ylamino)pyrimidin-5-yl]ethyl]pyridin-2-yl]ethanone

Drug info:

PubChemData

Smile

CCCCC(CO)NC1=NC=NC=C1CCC2=NC(=CC=C2)C(=C)C

DOS

IR

Vibrations