Geometry & MOs

Info

ID:	62843
PubChem CID:	26737228
Reduced:	FOSN5H18C19 (1)
Stoich.:	ABCD5E18F19 (1)
Weight, g/mol:	348.083175
ΔH_f, kcal/mol:	17.06
Dipole, Da:	4.47
IP(EA), eV:	-9.07(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-nitro-4-oxo-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1H-pyrimidin-2-olate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)C(=O)CC3=CSC(=N3)C4=CC=C(C=C4)F

DOS

IR

Vibrations