Geometry & MOs

Info

ID:	440499
PubChem CID:	135230485
Reduced:	F2O4N9C31H33 (1)
Stoich.:	A2B4C9D31E33 (1)
Weight, g/mol:	171.162314
ΔH_f, kcal/mol:	-50.57
Dipole, Da:	9.44
IP(EA), eV:	-8.51(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-5-nitrosononane

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(N=C2)N3CC4CC(C3)O4)C5=CC=CC=C5)NC(=O)N[C@@H]6CN(O[C@H]6C7=CC(=C(N=C7)F)F)CCOC

DOS

IR

Vibrations