Geometry & MOs

Info

ID:	279621
PubChem CID:	103844484
Reduced:	NOC8H8 (2)
Stoich.:	ABC8D8 (2)
Weight, g/mol:	296.102414
ΔH_f, kcal/mol:	-10.54
Dipole, Da:	4.81
IP(EA), eV:	-8.83(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanol

Drug info:

PubChemData

Smile

C1=CC2=NC(=CN2C=C1)COC3=CC=C(C=C3)CCO

DOS

IR

Vibrations