Geometry & MOs

Info

ID:	264589
PubChem CID:	103472902
Reduced:	O2N3F4C10H15 (1)
Stoich.:	A2B3C4D10E15 (1)
Weight, g/mol:	264.085855
ΔH_f, kcal/mol:	-233.19
Dipole, Da:	4.4
IP(EA), eV:	-9.79(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(hydroxymethyl)morpholin-4-yl]-5-nitropyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(CCC1=NC(=NO1)COCC(C(F)F)(F)F)N

DOS

IR

Vibrations