Geometry & MOs

Info

ID:	308026
PubChem CID:	125311860
Reduced:	N2O2H9C10 (2)
Stoich.:	A2B2C9D10 (2)
Weight, g/mol:	319.091669
ΔH_f, kcal/mol:	74.38
Dipole, Da:	5.81
IP(EA), eV:	-8.97(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(5-methoxy-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-6-methyl-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)/C=N\N2CN=C3C4=CC=CC=C4N=C3C2=O

DOS

IR

Vibrations