Geometry & MOs

Info

ID:	126307
PubChem CID:	50959068
Reduced:	ClO2N4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	321.151098
ΔH_f, kcal/mol:	38.49
Dipole, Da:	5.62
IP(EA), eV:	-9.2(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethyl-5-methylthiophene-3-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=C1)C2CC(=O)N=C3C2=CNN3CC4=CC=CC=C4Cl

DOS

IR

Vibrations