Geometry & MOs

Info

ID:	418198
PubChem CID:	135103813
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	388.283826
ΔH_f, kcal/mol:	-106.99
Dipole, Da:	5.76
IP(EA), eV:	-9.79(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4aR,6R,8aS)-2-(5-ethyl-2-methylpyrimidin-4-yl)-8a-(methoxymethyl)-1,3,4,4a,5,6,7,8-octahydroisoquinolin-6-yl]morpholine

Drug info:

PubChemData

Smile

C1CN(C[C@H]([C@H]1C(=O)O)O)CC2=CN=CC=C2

DOS

IR

Vibrations