Geometry & MOs

Info

ID:	227059
PubChem CID:	87559994
Reduced:	INO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	505.183541
ΔH_f, kcal/mol:	-68.8
Dipole, Da:	10.63
IP(EA), eV:	-9.67(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorobenzoyl)-[[4-(1H-indol-5-yl)thiophen-2-yl]methyl]-(2-pyrrolidin-1-ylethyl)azaniumyl]acetate

Drug info:

PubChemData

Smile

C/C=C/1\[C@H]2[C@H]3CCCC(C3=C(N2C1=O)C(=O)O)I

DOS

IR

Vibrations