Geometry & MOs

Info

ID:	357336
PubChem CID:	127293969
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	6.6
Dipole, Da:	4.03
IP(EA), eV:	-8.68(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-morpholin-4-ylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1CCCN(C1)C2=NC=NC(=C2)NCC3=CC=CC=C3N4CCOCC4

DOS

IR

Vibrations