Geometry & MOs

Info

ID:	358595
PubChem CID:	127296354
Reduced:	ON4C24H32 (1)
Stoich.:	AB4C24D32 (1)
Weight, g/mol:	397.200156
ΔH_f, kcal/mol:	6.21
Dipole, Da:	4.97
IP(EA), eV:	-8.66(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-[4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3=C(CCCC3)C(=N2)C(=O)NC4CCN(CC4)CC5CC5

DOS

IR

Vibrations