Geometry & MOs

Info

ID:	354551
PubChem CID:	127287165
Reduced:	SO4N5C17H23 (1)
Stoich.:	AB4C5D17E23 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	-85.1
Dipole, Da:	2.91
IP(EA), eV:	-10.1(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2=CN=CC=C2)NC(=O)N(C)C3CCS(=O)(=O)C3

DOS

IR

Vibrations