Geometry & MOs

Info

ID:	398509
PubChem CID:	135033566
Reduced:	NO4H17C19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	398.14739
ΔH_f, kcal/mol:	-116.26
Dipole, Da:	3.9
IP(EA), eV:	-8.34(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-cyclopropyl-5-fluoropyridin-4-yl)-triphenylphosphanium

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1OC)O)C2=C(C(=CC3=CC=CC=C32)C(=O)O)N

DOS

IR

Vibrations