Geometry & MOs

Info

ID:	18409
PubChem CID:	540556
Reduced:	O2N5C9H9 (1)
Stoich.:	A2B5C9D9 (1)
Weight, g/mol:	219.075625
ΔH_f, kcal/mol:	10.95
Dipole, Da:	8.07
IP(EA), eV:	-8.63(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-diamino-5-(furan-2-ylmethylideneamino)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=COC(=C1)C=NC2=C(NC(=NC2=O)N)N

DOS

IR

Vibrations