Geometry & MOs

Info

ID:	41259
PubChem CID:	8145549
Reduced:	ON3C23H29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	381.185255
ΔH_f, kcal/mol:	-3.47
Dipole, Da:	7.7
IP(EA), eV:	-9.09(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC=C(C=C1)[C@H](C(C)C)NCC2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations