Geometry & MOs

Info

ID:	187559
PubChem CID:	77591978
Reduced:	NO5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	413.149932
ΔH_f, kcal/mol:	-112.3
Dipole, Da:	1.24
IP(EA), eV:	-8.79(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2,3-dihydrofuran-5-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1C2(CCC(=O)C3C2(CCN1CC4CC4)C5=C(C=CC(=C5O3)OC(=O)C)C)O

DOS

IR

Vibrations