Geometry & MOs

Info

ID:	179088
PubChem CID:	76432297
Reduced:	O3N4C24H32 (1)
Stoich.:	A3B4C24D32 (1)
Weight, g/mol:	333.185255
ΔH_f, kcal/mol:	-92.79
Dipole, Da:	2.91
IP(EA), eV:	-8.88(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)OCC2CC(CN(C2)CC3=CC=CC=C3)C(=O)NCCNC(=O)C

DOS

IR

Vibrations