Geometry & MOs

Info

ID:	128329
PubChem CID:	51039956
Reduced:	BrNO6C12H12 (1)
Stoich.:	ABC6D12E12 (1)
Weight, g/mol:	340.142307
ΔH_f, kcal/mol:	-232.06
Dipole, Da:	1.33
IP(EA), eV:	-9.38(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5,8-dimethoxy-7-methylnaphthalen-2-yl)methyl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)Br)NC(=O)COCC(=O)O

DOS

IR

Vibrations