Geometry & MOs

Info

ID:	255672
PubChem CID:	103133933
Reduced:	NO2H13C14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	239.055798
ΔH_f, kcal/mol:	-28.12
Dipole, Da:	4.07
IP(EA), eV:	-9.34(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-1-isoquinolin-8-ylpropan-1-one

Drug info:

PubChemData

Smile

C1CC(OC1)C(=O)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations