Geometry & MOs

Info

ID:	197300
PubChem CID:	78951320
Reduced:	N2O2C9H12 (1)
Stoich.:	A2B2C9D12 (1)
Weight, g/mol:	297.096085
ΔH_f, kcal/mol:	-68.37
Dipole, Da:	4.09
IP(EA), eV:	-9.71(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(5-nitro-2,6-dioxo-3-propylpyrimidin-1-yl)but-2-enoic acid

Drug info:

PubChemData

Smile

CC=CCN1C(=O)C=CN(C1=O)C

DOS

IR

Vibrations