Geometry & MOs

Info

ID:	228208
PubChem CID:	87563667
Reduced:	BrNO3C7H12 (1)
Stoich.:	ABC3D7E12 (1)
Weight, g/mol:	237.00006
ΔH_f, kcal/mol:	-154.29
Dipole, Da:	4.64
IP(EA), eV:	-10.36(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-1-bromo-2-methyl-4-oxopentan-3-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)[C@@](C(=O)C)(NC(=O)O)Br

DOS

IR

Vibrations