Geometry & MOs

Info

ID:	227794
PubChem CID:	87562506
Reduced:	BrO2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	456.140925
ΔH_f, kcal/mol:	-53.55
Dipole, Da:	2.63
IP(EA), eV:	-9.09(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2,2-trifluoroacetyl) 2-amino-3-phenyl-3-(6-pyrimidin-5-yl-2,3-dihydro-1H-indol-3-yl)propanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC=O)OCCBr

DOS

IR

Vibrations