Geometry & MOs

Info

ID:	183902
PubChem CID:	77088764
Reduced:	ClO3N4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	294.153227
ΔH_f, kcal/mol:	-84.58
Dipole, Da:	1.95
IP(EA), eV:	-9.38(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1H-indole

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(C=CC(=C2)N3C=CC=N3)Cl

DOS

IR

Vibrations