Geometry & MOs

Info

ID:	140358
PubChem CID:	52686511
Reduced:	BrFO2N3C21H21 (1)
Stoich.:	ABC2D3E21F21 (1)
Weight, g/mol:	475.25834
ΔH_f, kcal/mol:	-70.69
Dipole, Da:	4.01
IP(EA), eV:	-8.62(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]-3-propylbenzimidazol-2-one

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)C(=O)CN3CCN(CC3)C(=O)C4=C(C=C(C=C4)Br)F

DOS

IR

Vibrations