Geometry & MOs

Info

ID:	40431
PubChem CID:	8144110
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	364.202502
ΔH_f, kcal/mol:	-70.08
Dipole, Da:	3.73
IP(EA), eV:	-8.19(0.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-propan-2-ylindole-2,3-dione

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CN3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations