Geometry & MOs

Info

ID:	387146
PubChem CID:	134984184
Reduced:	IN3C6H12 (1)
Stoich.:	AB3C6D12 (1)
Weight, g/mol:	330.102096
ΔH_f, kcal/mol:	59.28
Dipole, Da:	3.73
IP(EA), eV:	-9.98(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-carboxyethyl(diphenyl)phosphaniumyl]propanoate

Drug info:

PubChemData

Smile

CCCC[C@H](CN=[N+]=[N-])I

DOS

IR

Vibrations