Geometry & MOs

Info

ID:	27927
PubChem CID:	824176
Reduced:	BrN3O3H10C14 (1)
Stoich.:	AB3C3D10E14 (1)
Weight, g/mol:	306.103814
ΔH_f, kcal/mol:	45.99
Dipole, Da:	4.43
IP(EA), eV:	-9.32(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-5-[[4-(2-methylpropoxy)phenyl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NN=CC2=CC=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations