Geometry & MOs

Info

ID:	222518
PubChem CID:	85305360
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	352.276616
ΔH_f, kcal/mol:	-52.97
Dipole, Da:	3.17
IP(EA), eV:	-8.7(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,5-trimethyl-2-[1-(2-methylbutoxy)-1-(2,4,6-trimethylphenyl)ethyl]benzene

Drug info:

PubChemData

Smile

CCCC1C(ON(C12C3=CC=CC=C3N(C2=O)C)C4=CC=CC=C4)CO

DOS

IR

Vibrations