Geometry & MOs

Info

ID:	179065
PubChem CID:	76429429
Reduced:	ClO2N3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	337.123798
ΔH_f, kcal/mol:	-47.26
Dipole, Da:	0.9
IP(EA), eV:	-9.33(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-difluorobenzoyl)-7-ethyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

Drug info:

PubChemData

Smile

C1C(CN2C1C(=O)NC(C2=O)CC3=CC=CC=C3)NCC4=CC=CC=C4Cl

DOS

IR

Vibrations