Geometry & MOs

Info

ID:	179064
PubChem CID:	76429428
Reduced:	ON2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	383.140055
ΔH_f, kcal/mol:	-23.74
Dipole, Da:	2.49
IP(EA), eV:	-8.56(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-7-[(2-chlorophenyl)methylamino]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2CCN3C(C2)C(=O)NC(C3=O)CC4=CNC5=CC=CC=C54

DOS

IR

Vibrations