Geometry & MOs

Info

ID:	403018
PubChem CID:	135058352
Reduced:	NO2C20H29 (1)
Stoich.:	AB2C20D29 (1)
Weight, g/mol:	307.157229
ΔH_f, kcal/mol:	-101.47
Dipole, Da:	1.85
IP(EA), eV:	-8.18(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-(2-methyl-1-phenylindol-3-yl)propanoate

Drug info:

PubChemData

Smile

CCCCCC[C@H](C1=C(N(C2=CC=CC=C21)C)C)C(=O)OCC

DOS

IR

Vibrations