Geometry & MOs

Info

ID:	45511
PubChem CID:	10514323
Reduced:	O3C14H26 (1)
Stoich.:	A3B14C26 (1)
Weight, g/mol:	243.049135
ΔH_f, kcal/mol:	-156.6
Dipole, Da:	1.78
IP(EA), eV:	-9.82(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,6-dimethoxy-5-nitropyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(C=C)(C(C1CCCCC1)O)OCC

DOS

IR

Vibrations