Geometry & MOs

Info

ID:	396411
PubChem CID:	135028329
Reduced:	O3C9H10 (2)
Stoich.:	A3B9C10 (2)
Weight, g/mol:	838.438727
ΔH_f, kcal/mol:	-213.46
Dipole, Da:	4.56
IP(EA), eV:	-8.92(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[bis(2-phenylethynyl)alumanylmethyl]-2,6-di(propan-2-yl)aniline

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)OC)[C@H](C2=CC=CC=C2)[C@@H](C(=O)OC)O)O

DOS

IR

Vibrations