Geometry & MOs

Info

ID:	228207
PubChem CID:	87563664
Reduced:	ON5F6H23C24 (1)
Stoich.:	AB5C6D23E24 (1)
Weight, g/mol:	237.00006
ΔH_f, kcal/mol:	-274.12
Dipole, Da:	3.77
IP(EA), eV:	-8.74(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2OC(F)(F)F)C3=NC(=CC(=N3)C4=CC=C(C=C4)C(F)(F)F)CN

DOS

IR

Vibrations