Geometry & MOs

Info

ID:	8356
PubChem CID:	76735
Reduced:	O3N6C8H10 (1)
Stoich.:	A3B6C8D10 (1)
Weight, g/mol:	238.081438
ΔH_f, kcal/mol:	-45.02
Dipole, Da:	3.91
IP(EA), eV:	-9.34(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-acetamido-2-amino-5-nitrosopyrimidin-4-yl)acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C(=NC(=N1)N)NC(=O)C)N=O

DOS

IR

Vibrations