Geometry & MOs

Info

ID:	256447
PubChem CID:	103139269
Reduced:	N2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	227.055798
ΔH_f, kcal/mol:	27.83
Dipole, Da:	3.96
IP(EA), eV:	-8.94(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-1-isoquinolin-8-ylethanol

Drug info:

PubChemData

Smile

CCNC(C)C(C)C1=CC=CC2=C1C=NC=C2

DOS

IR

Vibrations