Geometry & MOs

Info

ID:	89360
PubChem CID:	49960932
Reduced:	BrNO2C19H21 (2)
Stoich.:	ABC2D19E21 (2)
Weight, g/mol:	297.172879
ΔH_f, kcal/mol:	-132.24
Dipole, Da:	3.74
IP(EA), eV:	-8.58(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4R)-3-benzyl-4-propan-2-yl-1,3-oxazolidin-2-yl]phenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC2=C(C=C(C=C2)C3=CC(=C(C=C3)NC(=O)COC4=C(C=C(C(=C4)C)Br)C(C)C)C)C

DOS

IR

Vibrations