Geometry & MOs

Info

ID:	29207
PubChem CID:	832314
Reduced:	N2O3H18C21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	338.125298
ΔH_f, kcal/mol:	-24.05
Dipole, Da:	4.72
IP(EA), eV:	-8.72(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(3-fluorophenyl)methyl]indol-3-yl]-pyrrolidin-1-ylmethanethione

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations