Geometry & MOs

Info

ID:	200652
PubChem CID:	79422492
Reduced:	NF3C17H18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	288.20893
ΔH_f, kcal/mol:	-133.31
Dipole, Da:	4.48
IP(EA), eV:	-9.29(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)hexanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(CC2=CC(=CC=C2)C(F)(F)F)CN

DOS

IR

Vibrations