Geometry & MOs

Info

ID:	161992
PubChem CID:	57393262
Reduced:	F3O3N8H25C27 (1)
Stoich.:	A3B3C8D25E27 (1)
Weight, g/mol:	278.188195
ΔH_f, kcal/mol:	-98.03
Dipole, Da:	7.55
IP(EA), eV:	-8.74(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-1-(3-hydroxyphenyl)undecan-2-one

Drug info:

PubChemData

Smile

CCCOC1=CC=CC2=C1N(C(=NC3=CC=C(C=C3)OC(F)(F)F)N2CC4=CC=C(C=C4)C(=O)NC5=NNN=N5)C

DOS

IR

Vibrations