Geometry & MOs

Info

ID:	140357
PubChem CID:	52686439
Reduced:	N2O3C21H38 (1)
Stoich.:	A2B3C21D38 (1)
Weight, g/mol:	445.08012
ΔH_f, kcal/mol:	-210.86
Dipole, Da:	3.59
IP(EA), eV:	-9.39(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-bromo-2-fluorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone

Drug info:

PubChemData

Smile

CCCCC1CCC(CC1)C(=O)N2CCC(CC2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations