Geometry & MOs

Info

ID:	381270
PubChem CID:	134971954
Reduced:	BrN2O2C20H21 (1)
Stoich.:	AB2C2D20E21 (1)
Weight, g/mol:	400.07864
ΔH_f, kcal/mol:	-31.66
Dipole, Da:	4.42
IP(EA), eV:	-8.71(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(6-bromo-1H-indol-3-yl)-2-[[(1R)-1-phenylethyl]amino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CNC2=C1C=C(C=C2)Br)N[C@H](C)C3=CC=CC=C3

DOS

IR

Vibrations