Geometry & MOs

Info

ID:	179068
PubChem CID:	76429433
Reduced:	Cl2N3O4C15H15 (1)
Stoich.:	A2B3C4D15E15 (1)
Weight, g/mol:	385.160183
ΔH_f, kcal/mol:	-159.04
Dipole, Da:	3.6
IP(EA), eV:	-9.86(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-benzyl-2-[(3,4-difluorophenyl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

Drug info:

PubChemData

Smile

C1C(CN2C1C(=O)NC(C2=O)CO)NC(=O)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations