Geometry & MOs

Info

ID:	382606
PubChem CID:	134973867
Reduced:	O2C9H10 (2)
Stoich.:	A2B9C10 (2)
Weight, g/mol:	589.18505
ΔH_f, kcal/mol:	-94.53
Dipole, Da:	5.52
IP(EA), eV:	-8.57(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

carbanide;dihydroxy-[[(1S)-1-phenylethyl]-[(1S)-1-phenylethyl]amino]phosphanium;iridium(3+);trimethylphosphanium

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=CC=CC=C1)/O/C(=C/C)/C(=C\C=C)/O

DOS

IR

Vibrations