Geometry & MOs

Info

ID:	448950
PubChem CID:	135294687
Reduced:	N2O4F6H36C39 (1)
Stoich.:	A2B4C6D36E39 (1)
Weight, g/mol:	475.329774
ΔH_f, kcal/mol:	-349.98
Dipole, Da:	4.83
IP(EA), eV:	-8.68(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-formyloxydecyl 3-(3,5-ditert-butyl-4-nitrosophenyl)propanoate

Drug info:

PubChemData

Smile

CCCCCCC1=C/C(=C/2\NC3=C(O2)C=CC(=C3)C(C4=CC5=C(C=C4)O/C(=C/6\C=CC(=O)C(=C6)CCCC)/N5)(C(F)(F)F)C(F)(F)F)/C=CC1=O

DOS

IR

Vibrations