Geometry & MOs

Info

ID:	361019
PubChem CID:	127301888
Reduced:	O2N3C20H29 (1)
Stoich.:	A2B3C20D29 (1)
Weight, g/mol:	397.175004
ΔH_f, kcal/mol:	-89.61
Dipole, Da:	4.83
IP(EA), eV:	-9.17(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC(C(=O)NCCC(=O)N1CCCCC1)N2CCC3=CC=CC=C3C2

DOS

IR

Vibrations