Geometry & MOs

Info

ID:	320337
PubChem CID:	126659564
Reduced:	BrNF2O2H20C21 (1)
Stoich.:	ABC2D2E20F21 (1)
Weight, g/mol:	392.173607
ΔH_f, kcal/mol:	-84.07
Dipole, Da:	3.13
IP(EA), eV:	-9.32(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[4-[1-hydroxy-2-(methylamino)ethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=NO/C(=C/C(C(/C=C/C1=CC=CC=C1)(F)F)O)/C2=CC=C(C=C2)Br)C

DOS

IR

Vibrations