Geometry & MOs

Info

ID:	431539
PubChem CID:	135171627
Reduced:	OF2H12C14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	388.35526
ΔH_f, kcal/mol:	-91.4
Dipole, Da:	2.89
IP(EA), eV:	-8.89(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-ethoxy-4-(2-ethoxy-2-methylpropyl)-4-ethyl-2,6-dimethylheptan-2-yl]oxy-2-methylpropan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C2=CC=CC=C2OC)F)F

DOS

IR

Vibrations