Geometry & MOs

Info

ID:	59851
PubChem CID:	24899836
Reduced:	BrN3O3F4C28H30 (1)
Stoich.:	AB3C3D4E28F30 (1)
Weight, g/mol:	295.141973
ΔH_f, kcal/mol:	-307.61
Dipole, Da:	5.89
IP(EA), eV:	-8.38(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-hydroxy-2-[[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(N1)/C=C\2/C3=C(C(=CC(=C3)F)Br)NC2=O)C(F)(F)F)C(=O)C4CCC(CC4)(CN5CCCCC5)O

DOS

IR

Vibrations