Geometry & MOs

Info

ID:	136351
PubChem CID:	52027261
Reduced:	BrON3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	398.06299
ΔH_f, kcal/mol:	31.68
Dipole, Da:	3.18
IP(EA), eV:	-8.88(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-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)C2=CN=CC=C2)C3=CNC4=C3C=C(C=C4)Br

DOS

IR

Vibrations