Geometry & MOs

Info

ID:	284778
PubChem CID:	104070403
Reduced:	BrNO3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	283.153206
ΔH_f, kcal/mol:	-110.33
Dipole, Da:	3.81
IP(EA), eV:	-9.49(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxy-2-methylbutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NC(C)(C)C(C)O

DOS

IR

Vibrations