Geometry & MOs

Info

ID:	126791
PubChem CID:	50979094
Reduced:	ON4C19H24 (1)
Stoich.:	AB4C19D24 (1)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	41.7
Dipole, Da:	2.28
IP(EA), eV:	-8.55(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[4-(ethylamino)pyrimidin-2-yl]piperidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=NC=CN=C1N2CCN(CC2)C/C=C/C3=CC=C(C=C3)OC

DOS

IR

Vibrations