Geometry & MOs

Info

ID:	134243
PubChem CID:	51667313
Reduced:	NO2C13H23 (2)
Stoich.:	AB2C13D23 (2)
Weight, g/mol:	375.143035
ΔH_f, kcal/mol:	-169.24
Dipole, Da:	23.96
IP(EA), eV:	-6.51(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-2-[4-[(2R)-butan-2-yl]oxy-3-ethoxyphenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H]([NH+]1C[C@@H](COC2=CC=C(C=C2)OC[C@@H](C[NH+]3[C@@H](CCC[C@@H]3C)C)O)O)C

DOS

IR

Vibrations