Geometry & MOs

Info

ID:	293448
PubChem CID:	117389484
Reduced:	SN2O2C12H18 (1)
Stoich.:	AB2C2D12E18 (1)
Weight, g/mol:	254.032142
ΔH_f, kcal/mol:	-72.59
Dipole, Da:	3.93
IP(EA), eV:	-8.82(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-(1-hydroxypropan-2-yl)-4-(trifluoromethyl)phenol

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC(=C1)C2CCCCN2

DOS

IR

Vibrations