Geometry & MOs

Info

ID:	354800
PubChem CID:	127287560
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-14.79
Dipole, Da:	4.86
IP(EA), eV:	-8.85(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=NOC(=N1)C2=CC=CC=C2C(=O)N3CCN4CCCCC4C3

DOS

IR

Vibrations