Geometry & MOs

Info

ID:	14153
PubChem CID:	405228
Reduced:	O2N3H6C7 (2)
Stoich.:	A2B3C6D7 (2)
Weight, g/mol:	328.092003
ΔH_f, kcal/mol:	25.75
Dipole, Da:	5.82
IP(EA), eV:	-9.8(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-cyano-4-[4-(dihydroxyamino)phenyl]-1-methyl-6-oxopyrimidin-2-yl]iminoacetamide

Drug info:

PubChemData

Smile

CC(=O)N=NC1=NC(=C(C(=O)N1C)C#N)C2=CC=C(C=C2)N(O)O

DOS

IR

Vibrations