Geometry & MOs

Info

ID:	304536
PubChem CID:	124756208
Reduced:	SO2N5C16H19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	304.215078
ΔH_f, kcal/mol:	-5.94
Dipole, Da:	4.2
IP(EA), eV:	-8.77(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9aS)-2-[3-(4-methoxyphenoxy)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=C(C=C2)NC(=O)N[C@H](COC)C3=CC=NN3C

DOS

IR

Vibrations