Geometry & MOs

Info

ID:	150706
PubChem CID:	53790401
Reduced:	ClNSO3C9H10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	269.102749
ΔH_f, kcal/mol:	-73.75
Dipole, Da:	4.72
IP(EA), eV:	-9.55(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(trifluoromethoxy)phenyl]cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=NOS(=O)(=O)C)Cl

DOS

IR

Vibrations