Geometry & MOs

Info

ID:	438713
PubChem CID:	135228464
Reduced:	FNO2C19H20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	350.163043
ΔH_f, kcal/mol:	-105.44
Dipole, Da:	5.61
IP(EA), eV:	-9.09(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-8-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)C(=O)N2CC3=C(C2)C=C(C=C3)F)C(C)C

DOS

IR

Vibrations