Geometry & MOs

Info

ID:	259968
PubChem CID:	103178843
Reduced:	NO2C16H27 (1)
Stoich.:	AB2C16D27 (1)
Weight, g/mol:	294.183109
ΔH_f, kcal/mol:	-84.91
Dipole, Da:	2.11
IP(EA), eV:	-9.05(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-methoxypropoxy)ethoxy]-1-(2,4,5-trimethylphenyl)ethanone

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CNCCOCCCOC

DOS

IR

Vibrations