Geometry & MOs

Info

ID:	136352
PubChem CID:	52027262
Reduced:	BrN2O2H19C20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	398.06299
ΔH_f, kcal/mol:	-33.51
Dipole, Da:	3.5
IP(EA), eV:	-8.9(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(5-bromo-1H-indol-3-yl)pyrrolidin-1-yl]-2-(4-hydroxyphenyl)ethanone

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)CC2=CC=C(C=C2)O)C3=CNC4=C3C=C(C=C4)Br

DOS

IR

Vibrations