Geometry & MOs

Info

ID:	227425
PubChem CID:	87561734
Reduced:	NO5C9H15 (1)
Stoich.:	AB5C9D15 (1)
Weight, g/mol:	414.03843
ΔH_f, kcal/mol:	-216.61
Dipole, Da:	3.47
IP(EA), eV:	-10.53(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-carboxyphenyl)-ethyl-diphenylphosphanium;bromide

Drug info:

PubChemData

Smile

CC(OC(=O)C(=C)C)OC(=O)NCOC

DOS

IR

Vibrations