Geometry & MOs

Info

ID:	179259
PubChem CID:	76456652
Reduced:	N2F3O7C15H15 (1)
Stoich.:	A2B3C7D15E15 (1)
Weight, g/mol:	217.095023
ΔH_f, kcal/mol:	-352.31
Dipole, Da:	3.86
IP(EA), eV:	-10.8(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(hydroxycarbamoyl)-2-(hydroxymethyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)O)NC(=O)C(F)(F)F)(C(=O)C2=CC=C(C=C2)[N+](=O)[O-])O

DOS

IR

Vibrations