Geometry & MOs

Info

ID:	394875
PubChem CID:	135024016
Reduced:	NO2F3C10H10 (1)
Stoich.:	AB2C3D10E10 (1)
Weight, g/mol:	471.20055
ΔH_f, kcal/mol:	-222.63
Dipole, Da:	4.45
IP(EA), eV:	-10.33(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[7-(diethylamino)-2-oxochromen-4-yl]methoxy]-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one

Drug info:

PubChemData

Smile

CC(=O)C[C@@](C1=CC=CC=N1)(C(F)(F)F)O

DOS

IR

Vibrations