Geometry & MOs

Info

ID:	147407
PubChem CID:	53787063
Reduced:	NF3H7C10 (2)
Stoich.:	AB3C7D10 (2)
Weight, g/mol:	406.271924
ΔH_f, kcal/mol:	-258.26
Dipole, Da:	0.04
IP(EA), eV:	-8.7(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-hydroxy-3,5-bis(2-methylhexan-2-yl)phenyl]methyl]propanedioic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC(=C(C=C2C(F)(F)F)C3=CC=C(C=C3)N)C(F)(F)F)N

DOS

IR

Vibrations