Geometry & MOs

Info

ID:	338498
PubChem CID:	127259190
Reduced:	N2O5C13H16 (1)
Stoich.:	A2B5C13D16 (1)
Weight, g/mol:	243.049135
ΔH_f, kcal/mol:	-108.46
Dipole, Da:	7.74
IP(EA), eV:	-10.01(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methoxy-5-nitropyrimidin-4-yl)oxymethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC(C)(C)COC1=C(C=CC(=N1)C=C)[N+](=O)[O-]

DOS

IR

Vibrations