Geometry & MOs

Info

ID:	314836
PubChem CID:	126623592
Reduced:	BrClF2N2O3H12C13 (1)
Stoich.:	ABC2D2E3F12G13 (1)
Weight, g/mol:	299.079373
ΔH_f, kcal/mol:	-206.4
Dipole, Da:	6.92
IP(EA), eV:	-10.11(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-acetyl-5-(3-methoxy-3-oxoprop-1-ynyl)indol-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1C(CN(C1C(=O)NCC2=C(C(=CC(=C2)Br)Cl)F)C(=O)O)F

DOS

IR

Vibrations