Geometry & MOs

Info

ID:	181327
PubChem CID:	76730982
Reduced:	BrNO4C21H22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	423.204573
ΔH_f, kcal/mol:	-130.37
Dipole, Da:	4.42
IP(EA), eV:	-9.38(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dihydroxy-3-methyl-4-(5-methyl-1,2-oxazol-3-yl)-3-[[4-(4-propylphenyl)phenyl]methoxy]butan-2-one

Drug info:

PubChemData

Smile

CC(C(=O)N1C(C(OC1=O)(C)C)C2=CC=CC=C2)OCC3=CC=C(C=C3)Br

DOS

IR

Vibrations