Geometry & MOs

Info

ID:	251296
PubChem CID:	103102834
Reduced:	N3O4C11H13 (1)
Stoich.:	A3B4C11D13 (1)
Weight, g/mol:	224.09094
ΔH_f, kcal/mol:	-56.34
Dipole, Da:	7.97
IP(EA), eV:	-9.74(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-2-oxoethyl)-ethylamino]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C1=C(C=C(C=C1)[N+](=O)[O-])C=O

DOS

IR

Vibrations