Geometry & MOs

Info

ID:	399820
PubChem CID:	135042946
Reduced:	BrNO2F4H4C8 (1)
Stoich.:	ABC2D4E4F8 (1)
Weight, g/mol:	164.068473
ΔH_f, kcal/mol:	-254.17
Dipole, Da:	4.78
IP(EA), eV:	-9.46(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-cyclohexane-1,2,3,4,5-pentol

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1F)Br)O)NC(=O)C(F)(F)F

DOS

IR

Vibrations