Geometry & MOs

Info

ID:	179074
PubChem CID:	76429881
Reduced:	N3O4C16H19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	412.106896
ΔH_f, kcal/mol:	-146.07
Dipole, Da:	5.76
IP(EA), eV:	-9.36(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(=O)N2CC(CC2C(=O)N1)NC(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations