Geometry & MOs

Info

ID:	434839
PubChem CID:	135175812
Reduced:	O4C19H28 (1)
Stoich.:	A4B19C28 (1)
Weight, g/mol:	208.14633
ΔH_f, kcal/mol:	-204.9
Dipole, Da:	2.45
IP(EA), eV:	-9.66(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethoxyethoxy)-3-ethyl-5-methylbenzene

Drug info:

PubChemData

Smile

CC(C)C(=O)OC(C)(C)CCC(C)C(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations