Geometry & MOs

Info

ID:	324273
PubChem CID:	126677283
Reduced:	O5C9H18 (1)
Stoich.:	A5B9C18 (1)
Weight, g/mol:	345.037955
ΔH_f, kcal/mol:	-212.46
Dipole, Da:	5.88
IP(EA), eV:	-9.55(1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(trifluoromethoxy)benzamide

Drug info:

PubChemData

Smile

CC1[C@@H](C(C([C@@H](O1)O)OC)OC)OC

DOS

IR

Vibrations