Geometry & MOs

Info

ID:	373034
PubChem CID:	131308846
Reduced:	NOC10H19 (1)
Stoich.:	ABC10D19 (1)
Weight, g/mol:	219.050713
ΔH_f, kcal/mol:	-53.3
Dipole, Da:	4.09
IP(EA), eV:	-8.7(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-amino-3-hydroxy-5-(trifluoromethyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CN1CCCCC1CC=CCO

DOS

IR

Vibrations