Geometry & MOs

Info

ID:	404291
PubChem CID:	135065759
Reduced:	BrNO4H16C17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	196.086446
ΔH_f, kcal/mol:	-122.38
Dipole, Da:	4.85
IP(EA), eV:	-9.77(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-dimethoxyphosphoryl-3-methylbutan-2-ol

Drug info:

PubChemData

Smile

COC(=O)[C@@H]([C@@H](C1=CC(=CC=C1)Br)O)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations