Geometry & MOs

Info

ID:	18542
PubChem CID:	542561
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	224.141244
ΔH_f, kcal/mol:	-112.51
Dipole, Da:	2.27
IP(EA), eV:	-9.16(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4-trimethoxybutylbenzene

Drug info:

PubChemData

Smile

COCC(C(CC1=CC=CC=C1)OC)OC

DOS

IR

Vibrations