Geometry & MOs

Info

ID:	314707
PubChem CID:	126622784
Reduced:	OC23H40 (1)
Stoich.:	AB23C40 (1)
Weight, g/mol:	255.105942
ΔH_f, kcal/mol:	-117.64
Dipole, Da:	1.5
IP(EA), eV:	-8.45(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-fluorophenyl)-5-methyl-3,4-dihydro-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

CCCCCCCCCC1=CC(=C(C(=C1)CC(C)C)O)CC(C)C

DOS

IR

Vibrations