Geometry & MOs

Info

ID:	193213
PubChem CID:	78357463
Reduced:	ClN3O4H24C25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	370.04475
ΔH_f, kcal/mol:	-54.95
Dipole, Da:	12.33
IP(EA), eV:	-8.82(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]ethanone;hydrochloride

Drug info:

PubChemData

Smile

C1C[NH+](CN1)CCCN2C(C(=C(C2=O)[O-])C(=O)C3=CC4=CC=CC=C4O3)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations