Geometry & MOs

Info

ID:	294206
PubChem CID:	117435214
Reduced:	NF3O3H10C12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	273.061278
ΔH_f, kcal/mol:	-249.91
Dipole, Da:	1.4
IP(EA), eV:	-9.34(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-isocyanatocyclopropyl)-6-methoxy-3-(trifluoromethyl)phenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations