Geometry & MOs

Info

ID:	381271
PubChem CID:	134971955
Reduced:	BrN2O2C20H21 (1)
Stoich.:	AB2C2D20E21 (1)
Weight, g/mol:	367.153206
ΔH_f, kcal/mol:	-30.99
Dipole, Da:	4.5
IP(EA), eV:	-8.76(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(5-nitro-1H-indol-3-yl)-2-[[(1R)-1-phenylethyl]amino]acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations