Geometry & MOs

Info

ID:	26697
PubChem CID:	794642
Reduced:	N3O3H11C14 (1)
Stoich.:	A3B3C11D14 (1)
Weight, g/mol:	316.117155
ΔH_f, kcal/mol:	25.83
Dipole, Da:	2.93
IP(EA), eV:	-9.49(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-6-[(E)-2-(N-methylanilino)ethenyl]-5-nitropyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=NC2=CC=CC=C2C(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations