Geometry & MOs

Info

ID:	43754
PubChem CID:	10321741
Reduced:	ON8C25H26 (1)
Stoich.:	AB8C25D26 (1)
Weight, g/mol:	454.226786
ΔH_f, kcal/mol:	123.99
Dipole, Da:	2.29
IP(EA), eV:	-8.93(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[1-(2-ethoxyethyl)-5-fluoroindol-3-yl]piperidin-1-yl]methyl]-2-methoxybenzoic acid

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)NN2C(=N/C(=C\C=C\C3=CC=CC=C3)/C2=O)C4=CC=CC=C4)NCC

DOS

IR

Vibrations