Geometry & MOs

Info

ID:	136353
PubChem CID:	52027263
Reduced:	BrN2O2H19C20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	323.14339
ΔH_f, kcal/mol:	-33.29
Dipole, Da:	3.33
IP(EA), eV:	-8.89(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-aminophenyl)-[(2R)-2-(6-fluoro-1H-indol-3-yl)pyrrolidin-1-yl]methanone

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