Geometry & MOs

Info

ID:	417096
PubChem CID:	135091363
Reduced:	ON4C17H22 (1)
Stoich.:	AB4C17D22 (1)
Weight, g/mol:	347.140055
ΔH_f, kcal/mol:	10.34
Dipole, Da:	1.79
IP(EA), eV:	-8.98(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)C1=CN=C(N=C1)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations