Geometry & MOs

Info

ID:	339750
PubChem CID:	127261752
Reduced:	ON4H12C14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	219.100777
ΔH_f, kcal/mol:	64.98
Dipole, Da:	3.41
IP(EA), eV:	-9.05(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-butylidene-7-methyl-8H-imidazo[1,2-a]pyrimidine-2,5-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NNC(=O)C2=CN3C=CN=C3C=C2

DOS

IR

Vibrations