Geometry & MOs

Info

ID:

85828

PubChem CID:

49879604

Reduced:

ClON4C17H22 (1)

Stoich.:

ABC4D17E22 (1)

Weight, g/mol:

288.12675

ΔHf, kcal/mol:

40.92

Dipole, Da:

1.6

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750022

Charge, e:

 -1

Chem-info

IUPAC name:

2-methyl-4-phenyl-6-piperidin-1-ylpyrimidine;chloride

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NCCN2CCOCC2)C3=CC=CC=C3.[Cl-]

DOS

IR

Vibrations