Geometry & MOs

Info

ID:	291506
PubChem CID:	112946495
Reduced:	ON3C8H10 (2)
Stoich.:	AB3C8D10 (2)
Weight, g/mol:	365.257946
ΔH_f, kcal/mol:	10.06
Dipole, Da:	4.04
IP(EA), eV:	-8.92(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-benzylpiperidin-1-yl)-3-(2-ethylpiperidin-1-yl)-1,2,4-triazine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC2=NC(=CN=N2)N3CCN(CC3)C=O

DOS

IR

Vibrations