Geometry & MOs

Info

ID:	363184
PubChem CID:	127310252
Reduced:	ON5C17H27 (1)
Stoich.:	AB5C17D27 (1)
Weight, g/mol:	331.237211
ΔH_f, kcal/mol:	-22.45
Dipole, Da:	5.24
IP(EA), eV:	-8.72(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyrimidin-4-yl]piperidin-3-yl]methanol

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C3=CC(=NC=N3)N4CCCC4CO

DOS

IR

Vibrations