Geometry & MOs

Info

ID:	312271
PubChem CID:	126604013
Reduced:	OF2N2C18H20 (2)
Stoich.:	AB2C2D18E20 (2)
Weight, g/mol:	420.287574
ΔH_f, kcal/mol:	-249.69
Dipole, Da:	1.79
IP(EA), eV:	-7.98(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-acetyl-5-hydroxy-4,4,6-tris(3-methylbutyl)-3-oxocyclohexa-1,5-dien-1-yl] acetate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)F)C(=O)N2CCCC(C2C3=CC=C(C=C3)CN4CCCC4C(F)(F)F)C(=O)NC5=CC(=CC=C5)N6CCCC6

DOS

IR

Vibrations