Geometry & MOs

Info

ID:	224959
PubChem CID:	85735146
Reduced:	NO3F4H15C18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	433.282823
ΔH_f, kcal/mol:	-281.77
Dipole, Da:	4.51
IP(EA), eV:	-9.73(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-hydroxy-1-(2-nitrophenyl)ethyl] heptadec-9-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C(CC2=CC=C(C=C2)F)NC(=O)C(F)(F)F

DOS

IR

Vibrations