Geometry & MOs

Info

ID:	349078
PubChem CID:	127274804
Reduced:	O2N4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	343.146681
ΔH_f, kcal/mol:	-70.61
Dipole, Da:	1.97
IP(EA), eV:	-8.87(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCN2CCCCC2C1)NC(=O)C3=CC=CC=N3

DOS

IR

Vibrations