Geometry & MOs

Info

ID:	43292
PubChem CID:	10320802
Reduced:	ION2F3C16H16 (1)
Stoich.:	ABC2D3E16F16 (1)
Weight, g/mol:	436.179835
ΔH_f, kcal/mol:	-147.17
Dipole, Da:	9.17
IP(EA), eV:	-7.32(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]-5-fluorobenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=[N+](C(=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C)C.[I-]

DOS

IR

Vibrations