Geometry & MOs

Info

ID:	161990
PubChem CID:	57393253
Reduced:	O2F7N8H23C28 (1)
Stoich.:	A2B7C8D23E28 (1)
Weight, g/mol:	228.20893
ΔH_f, kcal/mol:	-265.96
Dipole, Da:	8.13
IP(EA), eV:	-8.82(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-hydroxytetradecan-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations