Geometry & MOs

Info

ID:	166455
PubChem CID:	74690498
Reduced:	N3O5H15C18 (1)
Stoich.:	A3B5C15D18 (1)
Weight, g/mol:	395.98312
ΔH_f, kcal/mol:	-52.49
Dipole, Da:	7.55
IP(EA), eV:	-8.96(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6-[2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-5-nitro-2-oxo-5H-pyrimidin-4-olate

Drug info:

PubChemData

Smile

CCOC1=C(C2=CC=CC=C2C=C1)C=CC3=NC(=O)NC(=O)C3[N+](=O)[O-]

DOS

IR

Vibrations